N-(4-amino-3-methylphenyl)prop-2-enamide

C10H12N2O — CID 90104581

IUPACN-(4-amino-3-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C10H12N2O/c1-3-10(13)12-8-4-5-9(11)7(2)6-8/h3-6H,1,11H2,2H3,(H,12,13)
InChIKeyRXARWALVRZHWLC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.70
Rot. Bonds2

About N-(4-amino-3-methylphenyl)prop-2-enamide

N-(4-amino-3-methylphenyl)prop-2-enamide (PubChem CID 90104581) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)prop-2-enamide
PubChem CID90104581
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(4-amino-3-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C10H12N2O/c1-3-10(13)12-8-4-5-9(11)7(2)6-8/h3-6H,1,11H2,2H3,(H,12,13)
InChIKeyRXARWALVRZHWLC-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)-3-methylphenyl]prop-2-enamide
CID 82504711
N-(4-acetyl-3,5-dimethylphenyl)prop-2-enamide
CID 139018868
1-(4-amino-3-methylphenyl)prop-2-en-1-one
CID 116553934
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-[3-(aminomethyl)-4,5-dimethylphenyl]prop-2-enamide
CID 82506736
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
CID 118642231
N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide
CID 154139175
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
2-chloro-5-(prop-2-enoylamino)benzamide
CID 43699183
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
CID 176973912

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)prop-2-enamide?
The IUPAC name of N-(4-amino-3-methylphenyl)prop-2-enamide (CID 90104581) is N-(4-amino-3-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(N)c(C)c1.
What is the InChIKey of N-(4-amino-3-methylphenyl)prop-2-enamide?
The InChIKey is RXARWALVRZHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-10(13)12-8-4-5-9(11)7(2)6-8/h3-6H,1,11H2,2H3,(H,12,13).
What are the key properties of N-(4-amino-3-methylphenyl)prop-2-enamide?
N-(4-amino-3-methylphenyl)prop-2-enamide has a molecular weight of 176.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 90104581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).