4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride

C18H23ClN2O — CID 119269129

IUPAC4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
SMILESCC(NC(=O)CCCN)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14(20-18(21)8-5-13-19)15-9-11-17(12-10-15)16-6-3-2-4-7-16;/h2-4,6-7,9-12,14H,5,8,13,19H2,1H3,(H,20,21);1H
InChIKeyKLRPJTHLLCHOBC-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.69
Rot. Bonds6

About 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride

4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride (PubChem CID 119269129) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
PubChem CID119269129
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
SMILESCC(NC(=O)CCCN)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-14(20-18(21)8-5-13-19)15-9-11-17(12-10-15)16-6-3-2-4-7-16;/h2-4,6-7,9-12,14H,5,8,13,19H2,1H3,(H,20,21);1H
InChIKeyKLRPJTHLLCHOBC-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-phenylethyl)propanamide
CID 16784228
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
CID 119802470
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]hexanamide
CID 81359837
3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 30826333
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride (CID 119269129) is 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride is CC(NC(=O)CCCN)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is KLRPJTHLLCHOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-14(20-18(21)8-5-13-19)15-9-11-17(12-10-15)16-6-3-2-4-7-16;/h2-4,6-7,9-12,14H,5,8,13,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride?
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119269129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).