4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide

C22H37N5O4 — CID 166894997

IUPAC4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide
SMILESCNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CC1(CNC(=O)C1)C2
InChIInChI=1S/C22H37N5O4/c1-15(2)8-16(26-18(29)10-23-3)20(31)24-11-19(30)27-6-4-21(5-7-27)12-22(13-21)9-17(28)25-14-22/h15-16,23H,4-14H2,1-3H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyFBEPCQNJBSBEGM-UHFFFAOYSA-N
MW435.57 g/mol
LogP-0.24
Rot. Bonds8

About 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide

4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide (PubChem CID 166894997) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide
PubChem CID166894997
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Name4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide
SMILESCNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CC1(CNC(=O)C1)C2
InChIInChI=1S/C22H37N5O4/c1-15(2)8-16(26-18(29)10-23-3)20(31)24-11-19(30)27-6-4-21(5-7-27)12-22(13-21)9-17(28)25-14-22/h15-16,23H,4-14H2,1-3H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyFBEPCQNJBSBEGM-UHFFFAOYSA-N
XLogP-0.24
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Posatirelin
CID 71230
N-{1-[(1R,5S)-2-[(1-carbamoyl-3-cyclobutyl-1-oxopropan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}-2-acetamido-3-methylbutanamide
CID 23644720
(1R,5S)-3-[2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]-N-[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 44422906
cyclo[Aoda-Asp(tBu)(tBu)-Ile-D-Pip]
CID 56675096
N-(1-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-methyl-1-oxobutan-2-yl)-4-methylcyclohexanecarboxamide
CID 3240291
(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 164622832
Glp-Leu-Pip-NH2
CID 13312531
N-[(2S)-4-(4-methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 126601789
(1R,2S,5S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156969
Ac-Abu(cHex)-Val-Pro-NH2
CID 16732148
H-Pro-Leu-Gly-Pip-NH2
CID 73348400
H-Pyr-Leu-Lys-Ac6c-NH2
CID 73350280

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide?
The IUPAC name of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide (CID 166894997) is 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide?
The canonical SMILES for 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide is CNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CC1(CNC(=O)C1)C2.
What is the InChIKey of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide?
The InChIKey is FBEPCQNJBSBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-15(2)8-16(26-18(29)10-23-3)20(31)24-11-19(30)27-6-4-21(5-7-27)12-22(13-21)9-17(28)25-14-22/h15-16,23H,4-14H2,1-3H3,(H,24,31)(H,25,28)(H,26,29).
What are the key properties of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide?
4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide has a molecular weight of 435.57 g/mol, XLogP of -0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide is sourced from PubChem (CID 166894997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).