3-amino-3-(2,3,4-trimethylphenyl)propanamide

C12H18N2O — CID 116850990

IUPAC3-amino-3-(2,3,4-trimethylphenyl)propanamide
SMILESCc1ccc(C(N)CC(N)=O)c(C)c1C
InChIInChI=1S/C12H18N2O/c1-7-4-5-10(9(3)8(7)2)11(13)6-12(14)15/h4-5,11H,6,13H2,1-3H3,(H2,14,15)
InChIKeyNFFRGTIQIXCOTR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds3

About 3-amino-3-(2,3,4-trimethylphenyl)propanamide

3-amino-3-(2,3,4-trimethylphenyl)propanamide (PubChem CID 116850990) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-3-(2,3,4-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(2,3,4-trimethylphenyl)propanamide
PubChem CID116850990
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-3-(2,3,4-trimethylphenyl)propanamide
SMILESCc1ccc(C(N)CC(N)=O)c(C)c1C
InChIInChI=1S/C12H18N2O/c1-7-4-5-10(9(3)8(7)2)11(13)6-12(14)15/h4-5,11H,6,13H2,1-3H3,(H2,14,15)
InChIKeyNFFRGTIQIXCOTR-UHFFFAOYSA-N
XLogP1.49
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
3-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791799
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117319634
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
(3S)-3-amino-3-(4-chloro-2-fluorophenyl)propanamide
CID 104980078
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,3,4-trimethylphenyl)propanamide?
The IUPAC name of 3-amino-3-(2,3,4-trimethylphenyl)propanamide (CID 116850990) is 3-amino-3-(2,3,4-trimethylphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(2,3,4-trimethylphenyl)propanamide?
The canonical SMILES for 3-amino-3-(2,3,4-trimethylphenyl)propanamide is Cc1ccc(C(N)CC(N)=O)c(C)c1C.
What is the InChIKey of 3-amino-3-(2,3,4-trimethylphenyl)propanamide?
The InChIKey is NFFRGTIQIXCOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7-4-5-10(9(3)8(7)2)11(13)6-12(14)15/h4-5,11H,6,13H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-3-(2,3,4-trimethylphenyl)propanamide?
3-amino-3-(2,3,4-trimethylphenyl)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,3,4-trimethylphenyl)propanamide is sourced from PubChem (CID 116850990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).