3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

C19H22N2O3 — CID 94798542

IUPAC3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C19H22N2O3/c1-4-21(13(2)15-7-6-10-18(23)12-15)19(24)20-17-9-5-8-16(11-17)14(3)22/h5-13,23H,4H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyVMBXUXTWCWLRLW-ZDUSSCGKSA-N
MW326.40 g/mol
LogP4.21
Rot. Bonds5

About 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (PubChem CID 94798542) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
PubChem CID94798542
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C19H22N2O3/c1-4-21(13(2)15-7-6-10-18(23)12-15)19(24)20-17-9-5-8-16(11-17)14(3)22/h5-13,23H,4H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyVMBXUXTWCWLRLW-ZDUSSCGKSA-N
XLogP4.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(2-oxochromen-6-yl)urea
CID 95163567
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
CID 60609346
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
CID 61346463
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62818347
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7789739

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (CID 94798542) is 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is CCN(C(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1cccc(O)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is VMBXUXTWCWLRLW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-21(13(2)15-7-6-10-18(23)12-15)19(24)20-17-9-5-8-16(11-17)14(3)22/h5-13,23H,4H2,1-3H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 94798542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).