N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide

C18H32N2O2 — CID 11544064

IUPACN-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide
SMILESCCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1
InChIInChI=1S/C18H32N2O2/c1-2-3-4-7-14-9-11-15(12-10-14)17(21)20-16-8-5-6-13-19-18(16)22/h14-16H,2-13H2,1H3,(H,19,22)(H,20,21)/t14?,15?,16-/m0/s1
InChIKeyUUBCQUPUXRJOGZ-GPANFISMSA-N
MW308.47 g/mol
LogP3.16
Rot. Bonds6

About N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide

N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide (PubChem CID 11544064) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide
PubChem CID11544064
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide
SMILESCCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1
InChIInChI=1S/C18H32N2O2/c1-2-3-4-7-14-9-11-15(12-10-14)17(21)20-16-8-5-6-13-19-18(16)22/h14-16H,2-13H2,1H3,(H,19,22)(H,20,21)/t14?,15?,16-/m0/s1
InChIKeyUUBCQUPUXRJOGZ-GPANFISMSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide (CID 11544064) is N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide is CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide?
The InChIKey is UUBCQUPUXRJOGZ-GPANFISMSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-2-3-4-7-14-9-11-15(12-10-14)17(21)20-16-8-5-6-13-19-18(16)22/h14-16H,2-13H2,1H3,(H,19,22)(H,20,21)/t14?,15?,16-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide?
N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide is sourced from PubChem (CID 11544064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).