2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide

C12H19N3O — CID 103246089

IUPAC2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NCC(N)C(N)=O)cc1
InChIInChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)9(2)15-7-11(13)12(14)16/h3-6,9,11,15H,7,13H2,1-2H3,(H2,14,16)
InChIKeyYZHNBZYKBDEKFI-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.46
Rot. Bonds5

About 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide

2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide (PubChem CID 103246089) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide
PubChem CID103246089
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide
SMILESCc1ccc(C(C)NCC(N)C(N)=O)cc1
InChIInChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)9(2)15-7-11(13)12(14)16/h3-6,9,11,15H,7,13H2,1-2H3,(H2,14,16)
InChIKeyYZHNBZYKBDEKFI-UHFFFAOYSA-N
XLogP0.46
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide 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

2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
2-amino-3-(4-methylphenyl)propanamide
CID 18981163

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide (CID 103246089) is 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide is Cc1ccc(C(C)NCC(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide?
The InChIKey is YZHNBZYKBDEKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)9(2)15-7-11(13)12(14)16/h3-6,9,11,15H,7,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide?
2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide has a molecular weight of 221.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(4-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 103246089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).