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

C16H24N2O2 — CID 110936427

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(14-8-4-2-5-9-14)18-15(19)17-12-16(20)10-6-3-7-11-16/h2,4-5,8-9,13,20H,3,6-7,10-12H2,1H3,(H2,17,18,19)
InChIKeySMXSMEJPKCCCCR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds4

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

1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea (PubChem CID 110936427) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
PubChem CID110936427
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCC1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(14-8-4-2-5-9-14)18-15(19)17-12-16(20)10-6-3-7-11-16/h2,4-5,8-9,13,20H,3,6-7,10-12H2,1H3,(H2,17,18,19)
InChIKeySMXSMEJPKCCCCR-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-methylphenyl)-phenylmethyl]urea
CID 111437945
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 125441973
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
1-[(1-hydroxycyclohexyl)methyl]-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125445589
1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
CID 126434205
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea (CID 110936427) is 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea is CC(NC(=O)NCC1(O)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea?
The InChIKey is SMXSMEJPKCCCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(14-8-4-2-5-9-14)18-15(19)17-12-16(20)10-6-3-7-11-16/h2,4-5,8-9,13,20H,3,6-7,10-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea?
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 110936427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).