(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide

C19H21NO2 — CID 99995518

IUPAC(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-15-8-11-18(12-9-15)22-14-16(2)20-19(21)13-10-17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3,(H,20,21)/b13-10+/t16-/m1/s1
InChIKeyVIQMVARZOBJIMU-QSOAKEGCSA-N
MW295.38 g/mol
LogP3.59
Rot. Bonds6

About (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide

(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide (PubChem CID 99995518) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide
PubChem CID99995518
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-15-8-11-18(12-9-15)22-14-16(2)20-19(21)13-10-17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3,(H,20,21)/b13-10+/t16-/m1/s1
InChIKeyVIQMVARZOBJIMU-QSOAKEGCSA-N
XLogP3.59
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 ≤ 53.59
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-methoxyphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651003
(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide
CID 99998157
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide (CID 99995518) is (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide is Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide?
The InChIKey is VIQMVARZOBJIMU-QSOAKEGCSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-8-11-18(12-9-15)22-14-16(2)20-19(21)13-10-17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3,(H,20,21)/b13-10+/t16-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide?
(E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 99995518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).