2-amino-3-(4-methylphenyl)propanamide

C10H14N2O — CID 18981163

IUPAC2-amino-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(N)C(N)=O)cc1
InChIInChI=1S/C10H14N2O/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H2,12,13)
InChIKeyYWWCETNVBOLXJS-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-3-(4-methylphenyl)propanamide

2-amino-3-(4-methylphenyl)propanamide (PubChem CID 18981163) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-amino-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-methylphenyl)propanamide
PubChem CID18981163
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-amino-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(N)C(N)=O)cc1
InChIInChI=1S/C10H14N2O/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H2,12,13)
InChIKeyYWWCETNVBOLXJS-UHFFFAOYSA-N
XLogP0.35
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
[amino-[4-[(2R)-2,3-diamino-3-oxopropyl]phenyl]methylidene]azanium
CID 16740996
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylphenyl)propanamide?
The IUPAC name of 2-amino-3-(4-methylphenyl)propanamide (CID 18981163) is 2-amino-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-methylphenyl)propanamide?
The canonical SMILES for 2-amino-3-(4-methylphenyl)propanamide is Cc1ccc(CC(N)C(N)=O)cc1.
What is the InChIKey of 2-amino-3-(4-methylphenyl)propanamide?
The InChIKey is YWWCETNVBOLXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H2,12,13).
What are the key properties of 2-amino-3-(4-methylphenyl)propanamide?
2-amino-3-(4-methylphenyl)propanamide has a molecular weight of 178.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 18981163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).