1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea

C18H28N2O2 — CID 71886576

IUPAC1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
SMILESCC(Cc1ccc(O)cc1)NC(=O)N(C)C1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-14(13-15-9-11-17(21)12-10-15)19-18(22)20(2)16-7-5-3-4-6-8-16/h9-12,14,16,21H,3-8,13H2,1-2H3,(H,19,22)
InChIKeyJJPUKOJLQNSQLW-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.69
Rot. Bonds4

About 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea

1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea (PubChem CID 71886576) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
PubChem CID71886576
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
SMILESCC(Cc1ccc(O)cc1)NC(=O)N(C)C1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-14(13-15-9-11-17(21)12-10-15)19-18(22)20(2)16-7-5-3-4-6-8-16/h9-12,14,16,21H,3-8,13H2,1-2H3,(H,19,22)
InChIKeyJJPUKOJLQNSQLW-UHFFFAOYSA-N
XLogP3.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[1-(4-hydroxyphenoxy)ethyl]-1-methylurea
CID 108870951
2-[cyclohexyl(methyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 174492426
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61475485
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide
CID 136516183

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
The IUPAC name of 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea (CID 71886576) is 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea.
What is the SMILES notation for 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
The canonical SMILES for 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea is CC(Cc1ccc(O)cc1)NC(=O)N(C)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
The InChIKey is JJPUKOJLQNSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(13-15-9-11-17(21)12-10-15)19-18(22)20(2)16-7-5-3-4-6-8-16/h9-12,14,16,21H,3-8,13H2,1-2H3,(H,19,22).
What are the key properties of 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea?
1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea has a molecular weight of 304.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea is sourced from PubChem (CID 71886576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).