1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea

C17H24N2O3 — CID 111425519

IUPAC1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC2(O)CCCCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-13(20)14-6-8-15(9-7-14)19-16(21)18-12-17(22)10-4-2-3-5-11-17/h6-9,22H,2-5,10-12H2,1H3,(H2,18,19,21)
InChIKeyJTGBWVCQJFEZNO-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea

1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea (PubChem CID 111425519) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
PubChem CID111425519
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC2(O)CCCCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-13(20)14-6-8-15(9-7-14)19-16(21)18-12-17(22)10-4-2-3-5-11-17/h6-9,22H,2-5,10-12H2,1H3,(H2,18,19,21)
InChIKeyJTGBWVCQJFEZNO-UHFFFAOYSA-N
XLogP3.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
CID 103736201
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445330
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936304
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111618143
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea (CID 111425519) is 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea is CC(=O)c1ccc(NC(=O)NCC2(O)CCCCCC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
The InChIKey is JTGBWVCQJFEZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(20)14-6-8-15(9-7-14)19-16(21)18-12-17(22)10-4-2-3-5-11-17/h6-9,22H,2-5,10-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea has a molecular weight of 304.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea is sourced from PubChem (CID 111425519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).