(2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide

C16H29N3O2 — CID 164643393

IUPAC(2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide
SMILESCC(C)C[C@H]1C(=O)NCCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-12(2)11-14-15(20)17-9-6-10-19(14)16(21)18-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyYEVUSWQXRYXHDL-AWEZNQCLSA-N
MW295.43 g/mol
LogP2.27
Rot. Bonds3

About (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide

(2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide (PubChem CID 164643393) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide
PubChem CID164643393
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide
SMILESCC(C)C[C@H]1C(=O)NCCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-12(2)11-14-15(20)17-9-6-10-19(14)16(21)18-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyYEVUSWQXRYXHDL-AWEZNQCLSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
CID 4222340
Pyrrolidine-1,2-dicarboxylic acid 1-cyclohexylamide 2-[(3-methyl-butyl)-amide]
CID 3219609
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
N-cyclohexyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16293462
(7S)-5-methyl-7-(2-methylpropyl)-1,3,5-triazepane-2,6-dione
CID 44417506
(4aS,9aR)-7-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-ethyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742840
2-(carbamoylamino)-N-cyclohexyl-3-methylbutanamide
CID 3993867
N-(cyclohexylmethyl)-1-methyl-7-oxoazepane-2-carboxamide
CID 110196292
(2S)-2-(diethylcarbamoylamino)-N,4-dimethylpentanamide
CID 393226
1-(cyclohexylmethyl)-1-cyclopropyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94657247
2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide
CID 56643348

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide (CID 164643393) is (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide is CC(C)C[C@H]1C(=O)NCCCN1C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is YEVUSWQXRYXHDL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)11-14-15(20)17-9-6-10-19(14)16(21)18-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide?
(2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(2-methylpropyl)-3-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 164643393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).