N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide

C17H27N3O — CID 119527892

IUPACN-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
SMILESCC(C(=O)NCC(N)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C17H27N3O/c1-14(20-11-7-2-3-8-12-20)17(21)19-13-16(18)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13,18H2,1H3,(H,19,21)
InChIKeyCMKJGYKQRCEEDO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide

N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide (PubChem CID 119527892) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
PubChem CID119527892
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
SMILESCC(C(=O)NCC(N)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C17H27N3O/c1-14(20-11-7-2-3-8-12-20)17(21)19-13-16(18)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13,18H2,1H3,(H,19,21)
InChIKeyCMKJGYKQRCEEDO-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
N-(2-amino-2-phenylethyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide;hydrochloride
CID 119529433
2-(azepan-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111477458
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
2-(azepan-1-yl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111478283
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2-(azepan-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120829070

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide (CID 119527892) is N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide is CC(C(=O)NCC(N)c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide?
The InChIKey is CMKJGYKQRCEEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(20-11-7-2-3-8-12-20)17(21)19-13-16(18)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide?
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide is sourced from PubChem (CID 119527892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).