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

C11H16N2O — CID 59568547

IUPAC2-(methylamino)-3-(4-methylphenyl)propanamide
SMILESCNC(Cc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C11H16N2O/c1-8-3-5-9(6-4-8)7-10(13-2)11(12)14/h3-6,10,13H,7H2,1-2H3,(H2,12,14)
InChIKeyYREQSRPFCZGLMC-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.61
Rot. Bonds4

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

2-(methylamino)-3-(4-methylphenyl)propanamide (PubChem CID 59568547) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(methylamino)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-3-(4-methylphenyl)propanamide
PubChem CID59568547
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(methylamino)-3-(4-methylphenyl)propanamide
SMILESCNC(Cc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C11H16N2O/c1-8-3-5-9(6-4-8)7-10(13-2)11(12)14/h3-6,10,13H,7H2,1-2H3,(H2,12,14)
InChIKeyYREQSRPFCZGLMC-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
azane;3-(4-hydroxyphenyl)-2-(methylamino)propanamide;3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 158661642
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
(4-methylphenyl)sulfonyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 174911787
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(4-methylphenyl)propanamide?
The IUPAC name of 2-(methylamino)-3-(4-methylphenyl)propanamide (CID 59568547) is 2-(methylamino)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(methylamino)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(methylamino)-3-(4-methylphenyl)propanamide is CNC(Cc1ccc(C)cc1)C(N)=O.
What is the InChIKey of 2-(methylamino)-3-(4-methylphenyl)propanamide?
The InChIKey is YREQSRPFCZGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-3-5-9(6-4-8)7-10(13-2)11(12)14/h3-6,10,13H,7H2,1-2H3,(H2,12,14).
What are the key properties of 2-(methylamino)-3-(4-methylphenyl)propanamide?
2-(methylamino)-3-(4-methylphenyl)propanamide has a molecular weight of 192.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 59568547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).