N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane

C41H77N7O5 — CID 144562797

IUPACN-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane
SMILESCC.CC(CNC=O)C(=O)NC1CC1.CCC.CCCCCCC.CCC[C@H]1CCN(C(=O)[C@@H](NC(=O)CNC(=O)c2cnccn2)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C21H33N5O3.C8H14N2O2.C7H16.C3H8.C2H6/c1-6-7-15-8-11-26(14(15)2)20(29)18(21(3,4)5)25-17(27)13-24-19(28)16-12-22-9-10-23-16;1-6(4-9-5-11)8(12)10-7-2-3-7;1-3-5-7-6-4-2;1-3-2;1-2/h9-10,12,14-15,18H,6-8,11,13H2,1-5H3,(H,24,28)(H,25,27);5-7H,2-4H2,1H3,(H,9,11)(H,10,12);3-7H2,1-2H3;3H2,1-2H3;1-2H3/t14-,15+,18-;;;;/m1..../s1
InChIKeySNAZAVCYPZONDI-UXKGNRJGSA-N
MW748.11 g/mol
LogP6.84
Rot. Bonds16

About N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane

N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane (PubChem CID 144562797) has the molecular formula C41H77N7O5 and a molecular weight of 748.11 g/mol. Its IUPAC name is N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane.

Molecular Properties

Compound NameN-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane
PubChem CID144562797
Molecular FormulaC41H77N7O5
Molecular Weight748.11 g/mol
Exact Mass747.60
IUPAC NameN-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane
SMILESCC.CC(CNC=O)C(=O)NC1CC1.CCC.CCCCCCC.CCC[C@H]1CCN(C(=O)[C@@H](NC(=O)CNC(=O)c2cnccn2)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C21H33N5O3.C8H14N2O2.C7H16.C3H8.C2H6/c1-6-7-15-8-11-26(14(15)2)20(29)18(21(3,4)5)25-17(27)13-24-19(28)16-12-22-9-10-23-16;1-6(4-9-5-11)8(12)10-7-2-3-7;1-3-5-7-6-4-2;1-3-2;1-2/h9-10,12,14-15,18H,6-8,11,13H2,1-5H3,(H,24,28)(H,25,27);5-7H,2-4H2,1H3,(H,9,11)(H,10,12);3-7H2,1-2H3;3H2,1-2H3;1-2H3/t14-,15+,18-;;;;/m1..../s1
InChIKeySNAZAVCYPZONDI-UXKGNRJGSA-N
XLogP6.84
TPSA162.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.11
LogP ≤ 56.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane with MolForge

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Related Compounds

N-[2-[[1-[(3S)-3-butyl-2-[[3-(cyclopropylamino)-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;cyclohexane;ethane;propane
CID 144562780
N-[2-[[1-[(2S,3S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-ethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142953207
cyclohexane;N-[2-[[1-[(6R)-3-[3-(cyclopropylamino)-1-hydroxy-3-oxopropyl]-2-oxo-3,8-diazabicyclo[4.2.1]nonan-8-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;propane
CID 143544057
N-[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3-propylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methoxy-1-oxobutan-2-yl]pyrazine-2-carboxamide
CID 70884516
N-[2-[[1-[(3R)-2-carbamoyl-3-cyclohexylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142953194
N-[(2S)-1-[[(2S)-1-[(2S,3S,4R)-2-[[(2S)-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3,4-dipropylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
CID 71160154
(2'S,7aS)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-1'-[(2S)-3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-1-oxo-2-prop-2-enylspiro[5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-3,4'-pyrrolidine]-2'-carboxamide
CID 89271322
cyclohexane;N-[2-[[1-(diethylamino)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144746975
N-[2-[(3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 142990533
(2R,6S,9S)-5-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-cyclopropyl-7-oxo-9-propyl-5,8-diazatricyclo[9.4.0.02,6]pentadecane-10-carboxamide
CID 149295409
N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane
CID 143207959
2-[2-[[3-cyclohexyl-3-(pyrazine-2-carbonylamino)propanoyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 123873022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane?
The IUPAC name of N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane (CID 144562797) is N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane.
What is the SMILES notation for N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane?
The canonical SMILES for N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane is CC.CC(CNC=O)C(=O)NC1CC1.CCC.CCCCCCC.CCC[C@H]1CCN(C(=O)[C@@H](NC(=O)CNC(=O)c2cnccn2)C(C)(C)C)[C@@H]1C.
What is the InChIKey of N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane?
The InChIKey is SNAZAVCYPZONDI-UXKGNRJGSA-N. The full InChI is InChI=1S/C21H33N5O3.C8H14N2O2.C7H16.C3H8.C2H6/c1-6-7-15-8-11-26(14(15)2)20(29)18(21(3,4)5)25-17(27)13-24-19(28)16-12-22-9-10-23-16;1-6(4-9-5-11)8(12)10-7-2-3-7;1-3-5-7-6-4-2;1-3-2;1-2/h9-10,12,14-15,18H,6-8,11,13H2,1-5H3,(H,24,28)(H,25,27);5-7H,2-4H2,1H3,(H,9,11)(H,10,12);3-7H2,1-2H3;3H2,1-2H3;1-2H3/t14-,15+,18-;;;;/m1..../s1.
What are the key properties of N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane?
N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane has a molecular weight of 748.11 g/mol, XLogP of 6.84, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-formamido-2-methylpropanamide;N-[2-[[(2S)-3,3-dimethyl-1-[(2R,3S)-2-methyl-3-propylpyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide;ethane;heptane;propane is sourced from PubChem (CID 144562797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).