2-amino-4-(azocan-1-yl)-2-phenylbutanamide

C17H27N3O — CID 116693501

IUPAC2-amino-4-(azocan-1-yl)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCN1CCCCCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c18-16(21)17(19,15-9-5-4-6-10-15)11-14-20-12-7-2-1-3-8-13-20/h4-6,9-10H,1-3,7-8,11-14,19H2,(H2,18,21)
InChIKeyASJNSIIAGFZAJZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-4-(azocan-1-yl)-2-phenylbutanamide

2-amino-4-(azocan-1-yl)-2-phenylbutanamide (PubChem CID 116693501) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-4-(azocan-1-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(azocan-1-yl)-2-phenylbutanamide
PubChem CID116693501
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-4-(azocan-1-yl)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCN1CCCCCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c18-16(21)17(19,15-9-5-4-6-10-15)11-14-20-12-7-2-1-3-8-13-20/h4-6,9-10H,1-3,7-8,11-14,19H2,(H2,18,21)
InChIKeyASJNSIIAGFZAJZ-UHFFFAOYSA-N
XLogP1.98
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
CID 116693803
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
CID 24842549
methyl 2-amino-4-(1,4-oxazepan-4-yl)-2-phenylbutanoate
CID 116693847
2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
CID 116694375
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
2-amino-4-(4-iodopyrazol-1-yl)-2-phenylbutanamide
CID 116694055
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(azocan-1-yl)-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(azocan-1-yl)-2-phenylbutanamide (CID 116693501) is 2-amino-4-(azocan-1-yl)-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(azocan-1-yl)-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(azocan-1-yl)-2-phenylbutanamide is NC(=O)C(N)(CCN1CCCCCCC1)c1ccccc1.
What is the InChIKey of 2-amino-4-(azocan-1-yl)-2-phenylbutanamide?
The InChIKey is ASJNSIIAGFZAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-16(21)17(19,15-9-5-4-6-10-15)11-14-20-12-7-2-1-3-8-13-20/h4-6,9-10H,1-3,7-8,11-14,19H2,(H2,18,21).
What are the key properties of 2-amino-4-(azocan-1-yl)-2-phenylbutanamide?
2-amino-4-(azocan-1-yl)-2-phenylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(azocan-1-yl)-2-phenylbutanamide is sourced from PubChem (CID 116693501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).