N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide

C24H41N5O5 — CID 134562088

IUPACN-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCC(C)C(NC(=O)C1(NC(=O)N2CCCC2)CCCCC1)C(O)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C24H41N5O5/c1-16(2)18(19(30)21(32)26-17-10-4-7-13-25-20(17)31)27-22(33)24(11-5-3-6-12-24)28-23(34)29-14-8-9-15-29/h16-19,30H,3-15H2,1-2H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t17-,18?,19?/m0/s1
InChIKeyNPPVABKEXUPIAF-VIQWUECVSA-N
MW479.62 g/mol
LogP0.78
Rot. Bonds7

About N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide

N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 134562088) has the molecular formula C24H41N5O5 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide
PubChem CID134562088
Molecular FormulaC24H41N5O5
Molecular Weight479.62 g/mol
Exact Mass479.31
IUPAC NameN-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCC(C)C(NC(=O)C1(NC(=O)N2CCCC2)CCCCC1)C(O)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C24H41N5O5/c1-16(2)18(19(30)21(32)26-17-10-4-7-13-25-20(17)31)27-22(33)24(11-5-3-6-12-24)28-23(34)29-14-8-9-15-29/h16-19,30H,3-15H2,1-2H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t17-,18?,19?/m0/s1
InChIKeyNPPVABKEXUPIAF-VIQWUECVSA-N
XLogP0.78
TPSA139.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

tert-butyl N-[(2S,3S)-2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamate
CID 121280859
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one
CID 62093429
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
2-(methylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 62637894
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
methyl 4-[[1-[[(3S)-1-(cyclopentylamino)-4-methyl-1,2-dioxopentan-3-yl]carbamoyl]cyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 15490908
2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
CID 107471324
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-(but-3-yn-2-ylamino)azepan-2-one
CID 114416732

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide (CID 134562088) is N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide is CC(C)C(NC(=O)C1(NC(=O)N2CCCC2)CCCCC1)C(O)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is NPPVABKEXUPIAF-VIQWUECVSA-N. The full InChI is InChI=1S/C24H41N5O5/c1-16(2)18(19(30)21(32)26-17-10-4-7-13-25-20(17)31)27-22(33)24(11-5-3-6-12-24)28-23(34)29-14-8-9-15-29/h16-19,30H,3-15H2,1-2H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)/t17-,18?,19?/m0/s1.
What are the key properties of N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide?
N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 0.78, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-hydroxy-4-methyl-1-oxo-1-[[(3S)-2-oxoazepan-3-yl]amino]pentan-3-yl]carbamoyl]cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134562088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).