(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide

C19H21NO2 — CID 757128

IUPAC(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-15(14-17-6-4-3-5-7-17)20-19(21)13-10-16-8-11-18(22-2)12-9-16/h3-13,15H,14H2,1-2H3,(H,20,21)/b13-10+/t15-/m1/s1
InChIKeyQRSXJWFJZOGNPC-NRMKIYEFSA-N
MW295.38 g/mol
LogP3.46
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide (PubChem CID 757128) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
PubChem CID757128
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-15(14-17-6-4-3-5-7-17)20-19(21)13-10-16-8-11-18(22-2)12-9-16/h3-13,15H,14H2,1-2H3,(H,20,21)/b13-10+/t15-/m1/s1
InChIKeyQRSXJWFJZOGNPC-NRMKIYEFSA-N
XLogP3.46
TPSA38.33 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 ≤ 53.46
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)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915
(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
(E)-N-[1-(3-methoxyphenyl)propan-2-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 86941732
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651003
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 4875063
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylprop-2-enamide
CID 28576382
(2S)-3-hydroxy-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoic acid
CID 61153484

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide (CID 757128) is (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide is COc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide?
The InChIKey is QRSXJWFJZOGNPC-NRMKIYEFSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15(14-17-6-4-3-5-7-17)20-19(21)13-10-16-8-11-18(22-2)12-9-16/h3-13,15H,14H2,1-2H3,(H,20,21)/b13-10+/t15-/m1/s1.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide is sourced from PubChem (CID 757128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).