(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone

C30H29NO2 — CID 92524482

IUPAC(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone
SMILESCCN(CCO)[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H29NO2/c1-2-31(21-22-32)29(27-17-13-25(14-18-27)23-9-5-3-6-10-23)30(33)28-19-15-26(16-20-28)24-11-7-4-8-12-24/h3-20,29,32H,2,21-22H2,1H3/t29-/m0/s1
InChIKeyOUUMPQIDYVRUGJ-LJAQVGFWSA-N
MW435.57 g/mol
LogP6.26
Rot. Bonds9

About (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone

(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone (PubChem CID 92524482) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone
PubChem CID92524482
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC Name(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone
SMILESCCN(CCO)[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H29NO2/c1-2-31(21-22-32)29(27-17-13-25(14-18-27)23-9-5-3-6-10-23)30(33)28-19-15-26(16-20-28)24-11-7-4-8-12-24/h3-20,29,32H,2,21-22H2,1H3/t29-/m0/s1
InChIKeyOUUMPQIDYVRUGJ-LJAQVGFWSA-N
XLogP6.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
CID 54601247
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
1-[4-[[ethyl(2-hydroxyethyl)amino]-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69034883
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one
CID 102549966
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749485
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749017

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone?
The IUPAC name of (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone (CID 92524482) is (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone.
What is the SMILES notation for (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone?
The canonical SMILES for (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone is CCN(CCO)[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone?
The InChIKey is OUUMPQIDYVRUGJ-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H29NO2/c1-2-31(21-22-32)29(27-17-13-25(14-18-27)23-9-5-3-6-10-23)30(33)28-19-15-26(16-20-28)24-11-7-4-8-12-24/h3-20,29,32H,2,21-22H2,1H3/t29-/m0/s1.
What are the key properties of (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone?
(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone has a molecular weight of 435.57 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone is sourced from PubChem (CID 92524482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).