1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea

C16H22N2O3 — CID 51104053

IUPAC1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)13-6-5-7-14(10-13)18-15(20)17-11-16(21)8-3-2-4-9-16/h5-7,10,21H,2-4,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyOXJJUIMAKSVWOZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea

1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 51104053) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID51104053
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)13-6-5-7-14(10-13)18-15(20)17-11-16(21)8-3-2-4-9-16/h5-7,10,21H,2-4,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyOXJJUIMAKSVWOZ-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111431597
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea (CID 51104053) is 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea is CC(=O)c1cccc(NC(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is OXJJUIMAKSVWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)13-6-5-7-14(10-13)18-15(20)17-11-16(21)8-3-2-4-9-16/h5-7,10,21H,2-4,8-9,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 290.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 51104053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).