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

C17H18N2O2 — CID 115342604

IUPAC(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)12-19-17(20)10-9-13-5-4-7-15(18)11-13/h2-11H,12,18H2,1H3,(H,19,20)/b10-9+
InChIKeyNRAXSHJTHZHKRO-MDZDMXLPSA-N
MW282.34 g/mol
LogP2.61
Rot. Bonds5

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

(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 115342604) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
PubChem CID115342604
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)12-19-17(20)10-9-13-5-4-7-15(18)11-13/h2-11H,12,18H2,1H3,(H,19,20)/b10-9+
InChIKeyNRAXSHJTHZHKRO-MDZDMXLPSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 4796977
(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 9114802
N-[(2-methoxyphenyl)methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 74509472
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(Z)-4-[(2-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 45100336
(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 115343636
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
CID 114332120
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide (CID 115342604) is (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide is COc1ccccc1CNC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is NRAXSHJTHZHKRO-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)12-19-17(20)10-9-13-5-4-7-15(18)11-13/h2-11H,12,18H2,1H3,(H,19,20)/b10-9+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 115342604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).