(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide

C17H18N2O — CID 84557574

IUPAC(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N2O/c1-13-2-4-15(5-3-13)12-19-17(20)11-8-14-6-9-16(18)10-7-14/h2-11H,12,18H2,1H3,(H,19,20)/b11-8+
InChIKeyNWLYPQCQAPKPOC-DHZHZOJOSA-N
MW266.34 g/mol
LogP2.91
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide (PubChem CID 84557574) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
PubChem CID84557574
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C17H18N2O/c1-13-2-4-15(5-3-13)12-19-17(20)11-8-14-6-9-16(18)10-7-14/h2-11H,12,18H2,1H3,(H,19,20)/b11-8+
InChIKeyNWLYPQCQAPKPOC-DHZHZOJOSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.91
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

(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(3-amino-4-methylphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 39380497
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-3-(4-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344050
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 114181941
(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385593
(E)-3-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]prop-2-enamide
CID 115343949
(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 51305933

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide (CID 84557574) is (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide is Cc1ccc(CNC(=O)/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The InChIKey is NWLYPQCQAPKPOC-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-2-4-15(5-3-13)12-19-17(20)11-8-14-6-9-16(18)10-7-14/h2-11H,12,18H2,1H3,(H,19,20)/b11-8+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide has a molecular weight of 266.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 84557574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).