3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide

C19H30N2O2 — CID 121147192

IUPAC3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCCCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C19H30N2O2/c1-4-17(5-2)20-19(22)21-13-7-6-8-16(14-21)15-9-11-18(23-3)12-10-15/h9-12,16-17H,4-8,13-14H2,1-3H3,(H,20,22)
InChIKeyMWUCFQIURYRZPJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.16
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide

3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide (PubChem CID 121147192) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide
PubChem CID121147192
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCCCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C19H30N2O2/c1-4-17(5-2)20-19(22)21-13-7-6-8-16(14-21)15-9-11-18(23-3)12-10-15/h9-12,16-17H,4-8,13-14H2,1-3H3,(H,20,22)
InChIKeyMWUCFQIURYRZPJ-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-pentan-3-ylazepane-1-carboxamide
CID 121146730
N-pentan-3-yl-3-phenylazepane-1-carboxamide
CID 121146230
N-tert-butyl-3-(4-methoxyphenyl)azepane-1-carboxamide
CID 121147168
N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide
CID 121147120
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
3-chloro-1-[3-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 121146937
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
[3-(4-methoxyphenyl)azepan-1-yl]-(4-methylphenyl)methanone
CID 121146944

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide (CID 121147192) is 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide is CCC(CC)NC(=O)N1CCCCC(c2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide?
The InChIKey is MWUCFQIURYRZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-17(5-2)20-19(22)21-13-7-6-8-16(14-21)15-9-11-18(23-3)12-10-15/h9-12,16-17H,4-8,13-14H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide?
3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide is sourced from PubChem (CID 121147192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).