3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide

C19H24N2O2 — CID 119951620

IUPAC3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
SMILESNC(CC(=O)NCC(CCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c20-18(16-9-5-2-6-10-16)13-19(23)21-14-17(11-12-22)15-7-3-1-4-8-15/h1-10,17-18,22H,11-14,20H2,(H,21,23)
InChIKeyCQYBLRAFICPCKG-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.36
Rot. Bonds8

About 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide

3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide (PubChem CID 119951620) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
PubChem CID119951620
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
SMILESNC(CC(=O)NCC(CCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c20-18(16-9-5-2-6-10-16)13-19(23)21-14-17(11-12-22)15-7-3-1-4-8-15/h1-10,17-18,22H,11-14,20H2,(H,21,23)
InChIKeyCQYBLRAFICPCKG-UHFFFAOYSA-N
XLogP2.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
2-amino-N-(4-hydroxy-2-phenylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668549
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
CID 114155639
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide (CID 119951620) is 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide is NC(CC(=O)NCC(CCO)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide?
The InChIKey is CQYBLRAFICPCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-18(16-9-5-2-6-10-16)13-19(23)21-14-17(11-12-22)15-7-3-1-4-8-15/h1-10,17-18,22H,11-14,20H2,(H,21,23).
What are the key properties of 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide?
3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 119951620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).