1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea

C18H20N2O4 — CID 95289623

IUPAC1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](CO)NC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(22)14-4-3-5-15(10-14)19-18(23)20-17(11-21)13-6-8-16(24-2)9-7-13/h3-10,17,21H,11H2,1-2H3,(H2,19,20,23)/t17-/m1/s1
InChIKeyQMKOYUJJRVZGIT-QGZVFWFLSA-N
MW328.37 g/mol
LogP2.75
Rot. Bonds6

About 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea

1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea (PubChem CID 95289623) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
PubChem CID95289623
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](CO)NC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(22)14-4-3-5-15(10-14)19-18(23)20-17(11-21)13-6-8-16(24-2)9-7-13/h3-10,17,21H,11H2,1-2H3,(H2,19,20,23)/t17-/m1/s1
InChIKeyQMKOYUJJRVZGIT-QGZVFWFLSA-N
XLogP2.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
CID 97185687
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 132652765
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
ethyl 3-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoate
CID 48637923
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 95285871
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea (CID 95289623) is 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea is COc1ccc([C@@H](CO)NC(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is QMKOYUJJRVZGIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(22)14-4-3-5-15(10-14)19-18(23)20-17(11-21)13-6-8-16(24-2)9-7-13/h3-10,17,21H,11H2,1-2H3,(H2,19,20,23)/t17-/m1/s1.
What are the key properties of 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 328.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 95289623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).