(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one

C24H23NO — CID 138981125

IUPAC(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one
SMILESCc1ccc(N[C@H](C/C=C/c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO/c1-19-15-17-22(18-16-19)25-23(24(26)21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-13,15-18,23,25H,14H2,1H3/b11-8+/t23-/m1/s1
InChIKeyOLALSJPZCGASRZ-OXHGWOFKSA-N
MW341.45 g/mol
LogP5.76
Rot. Bonds7

About (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one

(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one (PubChem CID 138981125) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one.

Molecular Properties

Compound Name(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one
PubChem CID138981125
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one
SMILESCc1ccc(N[C@H](C/C=C/c2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO/c1-19-15-17-22(18-16-19)25-23(24(26)21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-13,15-18,23,25H,14H2,1H3/b11-8+/t23-/m1/s1
InChIKeyOLALSJPZCGASRZ-OXHGWOFKSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
1-(2-methylphenyl)-3-phenyl-2-(3-phenylprop-2-enyl)propane-1,3-dione
CID 164898904
2-ethoxy-2-(4-methylanilino)-1-phenylethanone
CID 13351406
N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 2118628
[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
CID 145067041
2-anilino-1-phenylpropan-1-one
CID 577481
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea
CID 4022936
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 129440267
formamide;[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
CID 145067040
2-(4-methylanilino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 11838215

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one?
The IUPAC name of (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one (CID 138981125) is (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one.
What is the SMILES notation for (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one?
The canonical SMILES for (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one is Cc1ccc(N[C@H](C/C=C/c2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one?
The InChIKey is OLALSJPZCGASRZ-OXHGWOFKSA-N. The full InChI is InChI=1S/C24H23NO/c1-19-15-17-22(18-16-19)25-23(24(26)21-12-6-3-7-13-21)14-8-11-20-9-4-2-5-10-20/h2-13,15-18,23,25H,14H2,1H3/b11-8+/t23-/m1/s1.
What are the key properties of (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one?
(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one has a molecular weight of 341.45 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one is sourced from PubChem (CID 138981125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).