(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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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).