N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide

C16H30N2O — CID 115629287

IUPACN-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
SMILESCC(C)C1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-7-6-11-18(12-10-14)16(19)17-15-8-4-3-5-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyZCBJZBBGMJNXID-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.79
Rot. Bonds2

About N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide

N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide (PubChem CID 115629287) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
PubChem CID115629287
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
SMILESCC(C)C1CCCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-7-6-11-18(12-10-14)16(19)17-15-8-4-3-5-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyZCBJZBBGMJNXID-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(1S,3R)-3-methylsulfonylcyclohexyl]-4-propan-2-ylpiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide (CID 115629287) is N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide is CC(C)C1CCCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide?
The InChIKey is ZCBJZBBGMJNXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)14-7-6-11-18(12-10-14)16(19)17-15-8-4-3-5-9-15/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide?
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide is sourced from PubChem (CID 115629287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).