1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea

C17H26N2O2 — CID 111109574

IUPAC1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea
SMILESCC(CO)NC(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(12-20)19-17(21)18-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,13-14,16,20H,7-12H2,1H3,(H2,18,19,21)
InChIKeyAVLNKBCELGASFJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.64
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea

1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea (PubChem CID 111109574) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea
PubChem CID111109574
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea
SMILESCC(CO)NC(=O)NCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(12-20)19-17(21)18-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,13-14,16,20H,7-12H2,1H3,(H2,18,19,21)
InChIKeyAVLNKBCELGASFJ-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
CID 56783962
1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea
CID 84593172
1-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]-3-[(3-phenylcyclobutyl)methyl]urea
CID 124872768
3-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244224
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
4-phenyl-N-[(4-phenylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 142279944
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea (CID 111109574) is 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea is CC(CO)NC(=O)NCC1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea?
The InChIKey is AVLNKBCELGASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(12-20)19-17(21)18-11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,13-14,16,20H,7-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea?
1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea has a molecular weight of 290.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea is sourced from PubChem (CID 111109574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).