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

C14H22N2O — CID 62693740

IUPAC3-amino-N-(2-methylbutyl)-3-phenylpropanamide
SMILESCCC(C)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-11(2)10-16-14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyPQGKVGRMIQBSTK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.24
Rot. Bonds6

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

3-amino-N-(2-methylbutyl)-3-phenylpropanamide (PubChem CID 62693740) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N-(2-methylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-methylbutyl)-3-phenylpropanamide
PubChem CID62693740
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N-(2-methylbutyl)-3-phenylpropanamide
SMILESCCC(C)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-11(2)10-16-14(17)9-13(15)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,15H2,1-2H3,(H,16,17)
InChIKeyPQGKVGRMIQBSTK-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
CID 119952947
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
CID 119951620

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylbutyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-methylbutyl)-3-phenylpropanamide (CID 62693740) is 3-amino-N-(2-methylbutyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-methylbutyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-methylbutyl)-3-phenylpropanamide is CCC(C)CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-methylbutyl)-3-phenylpropanamide?
The InChIKey is PQGKVGRMIQBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11(2)10-16-14(17)9-13(15)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 3-amino-N-(2-methylbutyl)-3-phenylpropanamide?
3-amino-N-(2-methylbutyl)-3-phenylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 62693740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).