N-[3-(4-methylphenyl)phenyl]prop-2-enamide

C16H15NO — CID 166431632

IUPACN-[3-(4-methylphenyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C16H15NO/c1-3-16(18)17-15-6-4-5-14(11-15)13-9-7-12(2)8-10-13/h3-11H,1H2,2H3,(H,17,18)
InChIKeyTUCXEBKQNWRNKK-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.79
Rot. Bonds3

About N-[3-(4-methylphenyl)phenyl]prop-2-enamide

N-[3-(4-methylphenyl)phenyl]prop-2-enamide (PubChem CID 166431632) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)phenyl]prop-2-enamide
PubChem CID166431632
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC NameN-[3-(4-methylphenyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C)cc2)c1
InChIInChI=1S/C16H15NO/c1-3-16(18)17-15-6-4-5-14(11-15)13-9-7-12(2)8-10-13/h3-11H,1H2,2H3,(H,17,18)
InChIKeyTUCXEBKQNWRNKK-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526691
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
3-(4-methylphenyl)-5-(prop-2-enoylamino)benzoic acid
CID 178084000
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide
CID 162527290
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846
(3-phenylphenyl)carbamic acid
CID 611602

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(4-methylphenyl)phenyl]prop-2-enamide (CID 166431632) is N-[3-(4-methylphenyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-methylphenyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(4-methylphenyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-(4-methylphenyl)phenyl]prop-2-enamide?
The InChIKey is TUCXEBKQNWRNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-16(18)17-15-6-4-5-14(11-15)13-9-7-12(2)8-10-13/h3-11H,1H2,2H3,(H,17,18).
What are the key properties of N-[3-(4-methylphenyl)phenyl]prop-2-enamide?
N-[3-(4-methylphenyl)phenyl]prop-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 166431632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).