3-amino-N-octan-4-yl-3-phenylpropanamide

C17H28N2O — CID 103823881

IUPAC3-amino-N-octan-4-yl-3-phenylpropanamide
SMILESCCCCC(CCC)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-12-15(9-4-2)19-17(20)13-16(18)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13,18H2,1-2H3,(H,19,20)
InChIKeyYNQWOKHJYNDNBP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.55
Rot. Bonds9

About 3-amino-N-octan-4-yl-3-phenylpropanamide

3-amino-N-octan-4-yl-3-phenylpropanamide (PubChem CID 103823881) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-amino-N-octan-4-yl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-octan-4-yl-3-phenylpropanamide
PubChem CID103823881
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-amino-N-octan-4-yl-3-phenylpropanamide
SMILESCCCCC(CCC)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-12-15(9-4-2)19-17(20)13-16(18)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13,18H2,1-2H3,(H,19,20)
InChIKeyYNQWOKHJYNDNBP-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
N-(1-aminohexan-2-yl)-3-phenylpentanamide;hydrochloride
CID 119668250
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
benzyl N-[(3R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 91609031
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-octan-4-yl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-octan-4-yl-3-phenylpropanamide (CID 103823881) is 3-amino-N-octan-4-yl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-octan-4-yl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-octan-4-yl-3-phenylpropanamide is CCCCC(CCC)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-octan-4-yl-3-phenylpropanamide?
The InChIKey is YNQWOKHJYNDNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-12-15(9-4-2)19-17(20)13-16(18)14-10-7-6-8-11-14/h6-8,10-11,15-16H,3-5,9,12-13,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-octan-4-yl-3-phenylpropanamide?
3-amino-N-octan-4-yl-3-phenylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-octan-4-yl-3-phenylpropanamide is sourced from PubChem (CID 103823881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).