(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide

C19H21NO3 — CID 78854558

IUPAC(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-18-10-6-5-9-17(18)11-12-19(22)20(13-14-21)15-16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/b12-11+
InChIKeyXUYRFZVZWVUDCW-VAWYXSNFSA-N
MW311.38 g/mol
LogP2.73
Rot. Bonds7

About (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 78854558) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID78854558
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-18-10-6-5-9-17(18)11-12-19(22)20(13-14-21)15-16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/b12-11+
InChIKeyXUYRFZVZWVUDCW-VAWYXSNFSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 60584326
N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 76870370
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78854693
methyl 3-[benzyl-[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]propanoate
CID 55514232
3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 60830744
tert-butyl 5-[(E)-3-[benzyl(2-hydroxyethyl)amino]-3-oxoprop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121283448
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
methyl 3-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-(pyridin-4-ylmethyl)amino]propanoate
CID 75534426
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 134059120
(E)-3-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 26905554

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 78854558) is (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is XUYRFZVZWVUDCW-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-18-10-6-5-9-17(18)11-12-19(22)20(13-14-21)15-16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/b12-11+.
What are the key properties of (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 78854558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).