2-amino-N-(2-methylbutyl)-3-phenylpropanamide

C14H22N2O — CID 55108121

IUPAC2-amino-N-(2-methylbutyl)-3-phenylpropanamide
SMILESCCC(C)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-11(2)10-16-14(17)13(15)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyZBXZKFLRXOUQTR-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-N-(2-methylbutyl)-3-phenylpropanamide

2-amino-N-(2-methylbutyl)-3-phenylpropanamide (PubChem CID 55108121) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-(2-methylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-methylbutyl)-3-phenylpropanamide
PubChem CID55108121
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-(2-methylbutyl)-3-phenylpropanamide
SMILESCCC(C)CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-11(2)10-16-14(17)13(15)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyZBXZKFLRXOUQTR-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
CID 119327618
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
2-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]pentanoic acid
CID 65223842
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylbutyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-methylbutyl)-3-phenylpropanamide (CID 55108121) is 2-amino-N-(2-methylbutyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-methylbutyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-methylbutyl)-3-phenylpropanamide is CCC(C)CNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-methylbutyl)-3-phenylpropanamide?
The InChIKey is ZBXZKFLRXOUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11(2)10-16-14(17)13(15)9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-methylbutyl)-3-phenylpropanamide?
2-amino-N-(2-methylbutyl)-3-phenylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 55108121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).