N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide

C34H59N7O6 — CID 142118550

IUPACN-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide
SMILESCCC(C=O)NOC1C([C@@H](C)CC)CCN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C(C)CC)C(C)(C)C.CCCNC(C)=O
InChIInChI=1S/C29H48N6O5.C5H11NO/c1-9-18(4)21-12-15-35(28(21)40-34-20(11-3)17-36)27(39)24(29(6,7)8)33-26(38)23(19(5)10-2)32-25(37)22-16-30-13-14-31-22;1-3-4-6-5(2)7/h13-14,16-21,23-24,28,34H,9-12,15H2,1-8H3,(H,32,37)(H,33,38);3-4H2,1-2H3,(H,6,7)/t18-,19?,20?,21?,23?,24?,28?;/m0./s1
InChIKeyORTJFLWIDGWBGH-VITOOIOFSA-N
MW661.89 g/mol
LogP3.40
Rot. Bonds16

About N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide

N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide (PubChem CID 142118550) has the molecular formula C34H59N7O6 and a molecular weight of 661.89 g/mol. Its IUPAC name is N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide.

Molecular Properties

Compound NameN-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide
PubChem CID142118550
Molecular FormulaC34H59N7O6
Molecular Weight661.89 g/mol
Exact Mass661.45
IUPAC NameN-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide
SMILESCCC(C=O)NOC1C([C@@H](C)CC)CCN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C(C)CC)C(C)(C)C.CCCNC(C)=O
InChIInChI=1S/C29H48N6O5.C5H11NO/c1-9-18(4)21-12-15-35(28(21)40-34-20(11-3)17-36)27(39)24(29(6,7)8)33-26(38)23(19(5)10-2)32-25(37)22-16-30-13-14-31-22;1-3-4-6-5(2)7/h13-14,16-21,23-24,28,34H,9-12,15H2,1-8H3,(H,32,37)(H,33,38);3-4H2,1-2H3,(H,6,7)/t18-,19?,20?,21?,23?,24?,28?;/m0./s1
InChIKeyORTJFLWIDGWBGH-VITOOIOFSA-N
XLogP3.40
TPSA171.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.89
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide?
The IUPAC name of N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide (CID 142118550) is N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide.
What is the SMILES notation for N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide?
The canonical SMILES for N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide is CCC(C=O)NOC1C([C@@H](C)CC)CCN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C(C)CC)C(C)(C)C.CCCNC(C)=O.
What is the InChIKey of N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide?
The InChIKey is ORTJFLWIDGWBGH-VITOOIOFSA-N. The full InChI is InChI=1S/C29H48N6O5.C5H11NO/c1-9-18(4)21-12-15-35(28(21)40-34-20(11-3)17-36)27(39)24(29(6,7)8)33-26(38)23(19(5)10-2)32-25(37)22-16-30-13-14-31-22;1-3-4-6-5(2)7/h13-14,16-21,23-24,28,34H,9-12,15H2,1-8H3,(H,32,37)(H,33,38);3-4H2,1-2H3,(H,6,7)/t18-,19?,20?,21?,23?,24?,28?;/m0./s1.
What are the key properties of N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide?
N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide has a molecular weight of 661.89 g/mol, XLogP of 3.40, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[3-[(2S)-butan-2-yl]-2-(1-oxobutan-2-ylamino)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide;N-propylacetamide is sourced from PubChem (CID 142118550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).