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

C18H19NO2 — CID 4103426

IUPACN-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-14-3-5-15(6-4-14)9-12-18(20)19-13-16-7-10-17(21-2)11-8-16/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyDXBSFJOWSWAOSQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.33
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 4103426) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID4103426
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-14-3-5-15(6-4-14)9-12-18(20)19-13-16-7-10-17(21-2)11-8-16/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyDXBSFJOWSWAOSQ-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
diethyl-[[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 8947680
(E)-N-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 100509478
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187421
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 51305933

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide (CID 4103426) is N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide is COc1ccc(CNC(=O)C=Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is DXBSFJOWSWAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-3-5-15(6-4-14)9-12-18(20)19-13-16-7-10-17(21-2)11-8-16/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 4103426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).