(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one

C27H31NO — CID 154665815

IUPAC(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one
SMILESCCc1ccc(C(=O)C(C[C@H](C)N(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO/c1-5-22-16-18-23(19-17-22)26(29)27(20-21(2)28(3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,21H,5,20H2,1-4H3/t21-/m0/s1
InChIKeyJWTPZPOMKSNKIF-NRFANRHFSA-N
MW385.55 g/mol
LogP5.76
Rot. Bonds8

About (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one

(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one (PubChem CID 154665815) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one
PubChem CID154665815
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one
SMILESCCc1ccc(C(=O)C(C[C@H](C)N(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO/c1-5-22-16-18-23(19-17-22)26(29)27(20-21(2)28(3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,21H,5,20H2,1-4H3/t21-/m0/s1
InChIKeyJWTPZPOMKSNKIF-NRFANRHFSA-N
XLogP5.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one
CID 154665977
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
(4S)-4-(dimethylamino)-2,2-diphenyl-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pentan-1-one
CID 154665798
2-(4-ethylphenyl)-1,2,4-triphenylbutane-1,4-dione
CID 167435265
4-(dimethylamino)-2,2-diphenyl-N-propan-2-ylpentanamide;hydrochloride
CID 3032186
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
(4S,6R)-6-(dimethylamino)-4-phenyl-4-(2,3,6-trifluorophenyl)heptan-3-one
CID 164732602
2,10-bis(dimethylamino)-5,7-diethyl-4,4,8,8-tetraphenylundecan-6-one
CID 174656591

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one?
The IUPAC name of (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one (CID 154665815) is (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one.
What is the SMILES notation for (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one?
The canonical SMILES for (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one is CCc1ccc(C(=O)C(C[C@H](C)N(C)C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one?
The InChIKey is JWTPZPOMKSNKIF-NRFANRHFSA-N. The full InChI is InChI=1S/C27H31NO/c1-5-22-16-18-23(19-17-22)26(29)27(20-21(2)28(3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,21H,5,20H2,1-4H3/t21-/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one?
(4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one has a molecular weight of 385.55 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-1-(4-ethylphenyl)-2,2-diphenylpentan-1-one is sourced from PubChem (CID 154665815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).