(3S)-3-(dibenzylamino)-4-phenylbutan-2-one

C24H25NO — CID 10925962

IUPAC(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO/c1-20(26)24(17-21-11-5-2-6-12-21)25(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3/t24-/m0/s1
InChIKeyMZUCOEKPKNHXST-DEOSSOPVSA-N
MW343.47 g/mol
LogP4.89
Rot. Bonds8

About (3S)-3-(dibenzylamino)-4-phenylbutan-2-one

(3S)-3-(dibenzylamino)-4-phenylbutan-2-one (PubChem CID 10925962) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-3-(dibenzylamino)-4-phenylbutan-2-one.

Molecular Properties

Compound Name(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
PubChem CID10925962
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO/c1-20(26)24(17-21-11-5-2-6-12-21)25(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3/t24-/m0/s1
InChIKeyMZUCOEKPKNHXST-DEOSSOPVSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (2R)-2-(dibenzylamino)-3-phenylpropanoate
CID 36689310
2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 174607975
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
methyl 2-(dibenzylamino)-3-[4-[(dibenzylamino)methyl]phenyl]propanoate
CID 134946688
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylheptan-3-one
CID 101151798
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
3-(dibenzylamino)-4-methylhexane-2,5-dione
CID 135163861
N-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]propanamide
CID 121451440
prop-2-enyl 2-(dibenzylamino)-3-phenylpropanoate
CID 86226011
4-[benzyl(prop-2-enyl)amino]-2-methyl-5-phenylpent-1-en-3-one
CID 134887103
(3S)-3-(dibenzylamino)-1-methylsulfanyl-4-phenyl-1-phenylmethoxybutan-2-one
CID 15547215

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dibenzylamino)-4-phenylbutan-2-one?
The IUPAC name of (3S)-3-(dibenzylamino)-4-phenylbutan-2-one (CID 10925962) is (3S)-3-(dibenzylamino)-4-phenylbutan-2-one.
What is the SMILES notation for (3S)-3-(dibenzylamino)-4-phenylbutan-2-one?
The canonical SMILES for (3S)-3-(dibenzylamino)-4-phenylbutan-2-one is CC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S)-3-(dibenzylamino)-4-phenylbutan-2-one?
The InChIKey is MZUCOEKPKNHXST-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25NO/c1-20(26)24(17-21-11-5-2-6-12-21)25(18-22-13-7-3-8-14-22)19-23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3/t24-/m0/s1.
What are the key properties of (3S)-3-(dibenzylamino)-4-phenylbutan-2-one?
(3S)-3-(dibenzylamino)-4-phenylbutan-2-one has a molecular weight of 343.47 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dibenzylamino)-4-phenylbutan-2-one is sourced from PubChem (CID 10925962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).