5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide

C20H32N2O — CID 59840298

IUPAC5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCN2CCCCCC2)cc1
InChIInChI=1S/C20H32N2O/c1-17(2)18-10-12-19(13-11-18)21-20(23)9-5-8-16-22-14-6-3-4-7-15-22/h10-13,17H,3-9,14-16H2,1-2H3,(H,21,23)
InChIKeyQYPXWYUKYNBUHY-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.79
Rot. Bonds7

About 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide

5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide (PubChem CID 59840298) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
PubChem CID59840298
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCN2CCCCCC2)cc1
InChIInChI=1S/C20H32N2O/c1-17(2)18-10-12-19(13-11-18)21-20(23)9-5-8-16-22-14-6-3-4-7-15-22/h10-13,17H,3-9,14-16H2,1-2H3,(H,21,23)
InChIKeyQYPXWYUKYNBUHY-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
CID 110299847
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
CID 142203211
5-oxo-5-(4-propan-2-ylanilino)pentanoate
CID 7038718
5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354
3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide (CID 59840298) is 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide is CC(C)c1ccc(NC(=O)CCCCN2CCCCCC2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide?
The InChIKey is QYPXWYUKYNBUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-17(2)18-10-12-19(13-11-18)21-20(23)9-5-8-16-22-14-6-3-4-7-15-22/h10-13,17H,3-9,14-16H2,1-2H3,(H,21,23).
What are the key properties of 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide?
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide has a molecular weight of 316.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 59840298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).