(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide

C19H21NO2 — CID 75407643

IUPAC(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide
SMILESCN(Cc1cccc(O)c1)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C19H21NO2/c1-20(15-17-11-7-12-18(21)14-17)19(22)13-6-5-10-16-8-3-2-4-9-16/h2-5,7-12,14,21H,6,13,15H2,1H3/b10-5+
InChIKeyFYVFHRXIBSGSFV-BJMVGYQFSA-N
MW295.38 g/mol
LogP3.84
Rot. Bonds6

About (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide

(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide (PubChem CID 75407643) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide
PubChem CID75407643
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide
SMILESCN(Cc1cccc(O)c1)C(=O)CC/C=C/c1ccccc1
InChIInChI=1S/C19H21NO2/c1-20(15-17-11-7-12-18(21)14-17)19(22)13-6-5-10-16-8-3-2-4-9-16/h2-5,7-12,14,21H,6,13,15H2,1H3/b10-5+
InChIKeyFYVFHRXIBSGSFV-BJMVGYQFSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide
CID 66486373
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54874164
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
(E)-3-[3-[[ethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375421
(E)-5-phenylpent-4-enoic acid
CID 5370650
N-[(3-chlorophenyl)methyl]-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8621564

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
The IUPAC name of (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide (CID 75407643) is (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide.
What is the SMILES notation for (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
The canonical SMILES for (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide is CN(Cc1cccc(O)c1)C(=O)CC/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
The InChIKey is FYVFHRXIBSGSFV-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(15-17-11-7-12-18(21)14-17)19(22)13-6-5-10-16-8-3-2-4-9-16/h2-5,7-12,14,21H,6,13,15H2,1H3/b10-5+.
What are the key properties of (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide?
(E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylpent-4-enamide is sourced from PubChem (CID 75407643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).