N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride

C15H24ClN3O2 — CID 119382456

IUPACN-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCCN.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)14(15(20)17-9-8-16)18-13(19)10-12-6-4-3-5-7-12;/h3-7,11,14H,8-10,16H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyQVOGIVDLSODTDC-UHFFFAOYSA-N
MW313.83 g/mol
LogP0.87
Rot. Bonds7

About N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride

N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride (PubChem CID 119382456) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
PubChem CID119382456
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCCN.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)14(15(20)17-9-8-16)18-13(19)10-12-6-4-3-5-7-12;/h3-7,11,14H,8-10,16H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyQVOGIVDLSODTDC-UHFFFAOYSA-N
XLogP0.87
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459
ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394573
(2S)-N-[(2S)-1-[[(2S)-1-(4-aminobutylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanamide
CID 45486345
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride (CID 119382456) is N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The InChIKey is QVOGIVDLSODTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-11(2)14(15(20)17-9-8-16)18-13(19)10-12-6-4-3-5-7-12;/h3-7,11,14H,8-10,16H2,1-2H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride is sourced from PubChem (CID 119382456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).