(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one

C22H32N2O3 — CID 26220986

IUPAC(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
SMILESCC(C)C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C22H32N2O3/c1-17(2)22(26)23-13-20(27-16-18-9-5-3-6-10-18)14-24(21(25)15-23)19-11-7-4-8-12-19/h3,5-6,9-10,17,19-20H,4,7-8,11-16H2,1-2H3/t20-/m0/s1
InChIKeyBHHVDJQUCIPQRQ-FQEVSTJZSA-N
MW372.51 g/mol
LogP3.23
Rot. Bonds5

About (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one

(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one (PubChem CID 26220986) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one.

Molecular Properties

Compound Name(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
PubChem CID26220986
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
SMILESCC(C)C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C22H32N2O3/c1-17(2)22(26)23-13-20(27-16-18-9-5-3-6-10-18)14-24(21(25)15-23)19-11-7-4-8-12-19/h3,5-6,9-10,17,19-20H,4,7-8,11-16H2,1-2H3/t20-/m0/s1
InChIKeyBHHVDJQUCIPQRQ-FQEVSTJZSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one
CID 26146714
1-cyclohexyl-6-phenylmethoxy-4-(2-pyridin-3-ylacetyl)-1,4-diazepan-2-one
CID 45165380
(6S)-4-[(2S)-1-acetylpyrrolidine-2-carbonyl]-1-cyclohexyl-6-phenylmethoxy-1,4-diazepan-2-one
CID 26141920
(6R)-1-cyclohexyl-4-(2-methylpyridine-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26144031
(6R)-1-cyclohexyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26145446
(6R)-1-cyclohexyl-6-phenylmethoxy-4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 26219889
(6R)-1-cyclohexyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26147254
(6R)-1-cyclohexyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26229155
1-cyclohexyl-4-[2-(4-methoxyphenyl)acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 45160154
(6S)-1-cyclohexyl-4-[2-(1H-indol-3-yl)acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26134582
(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26146652
(6S)-1-cyclohexyl-4-[(1R)-3-oxo-1,2-dihydroindene-1-carbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26139481

Frequently Asked Questions

What is the IUPAC name of (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one?
The IUPAC name of (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one (CID 26220986) is (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one.
What is the SMILES notation for (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one?
The canonical SMILES for (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one is CC(C)C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1.
What is the InChIKey of (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one?
The InChIKey is BHHVDJQUCIPQRQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17(2)22(26)23-13-20(27-16-18-9-5-3-6-10-18)14-24(21(25)15-23)19-11-7-4-8-12-19/h3,5-6,9-10,17,19-20H,4,7-8,11-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one?
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one has a molecular weight of 372.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one is sourced from PubChem (CID 26220986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).