[2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone

C23H31NO — CID 174469050

IUPAC[2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone
SMILESCCCC(CC)(CC)N(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H31NO/c1-5-18-23(6-2,7-3)24(8-4)21-17-13-12-16-20(21)22(25)19-14-10-9-11-15-19/h9-17H,5-8,18H2,1-4H3
InChIKeyRZKRTJXRIRDJEO-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.10
Rot. Bonds9

About [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone

[2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone (PubChem CID 174469050) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone
PubChem CID174469050
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name[2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone
SMILESCCCC(CC)(CC)N(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H31NO/c1-5-18-23(6-2,7-3)24(8-4)21-17-13-12-16-20(21)22(25)19-14-10-9-11-15-19/h9-17H,5-8,18H2,1-4H3
InChIKeyRZKRTJXRIRDJEO-UHFFFAOYSA-N
XLogP6.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
N-acetyl-N-(2-benzoylphenyl)acetamide
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2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
CID 175307989
N-(2-benzoylphenyl)-N-methylmethanesulfonamide
CID 11130003
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
[2,3-bis[di(undecyl)amino]phenyl]-phenylmethanone
CID 18366238
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
1-(2-benzoylphenyl)hexan-1-one
CID 158745155

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone?
The IUPAC name of [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone (CID 174469050) is [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone is CCCC(CC)(CC)N(CC)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone?
The InChIKey is RZKRTJXRIRDJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-5-18-23(6-2,7-3)24(8-4)21-17-13-12-16-20(21)22(25)19-14-10-9-11-15-19/h9-17H,5-8,18H2,1-4H3.
What are the key properties of [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone?
[2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone has a molecular weight of 337.51 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(3-ethylhexan-3-yl)amino]phenyl]-phenylmethanone is sourced from PubChem (CID 174469050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).