1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea

C16H25N3O2 — CID 62359300

IUPAC1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)NC2CCCCC2O)c1
InChIInChI=1S/C16H25N3O2/c1-11(17-2)12-6-5-7-13(10-12)18-16(21)19-14-8-3-4-9-15(14)20/h5-7,10-11,14-15,17,20H,3-4,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyJCPVMSBJOWMJBZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.39
Rot. Bonds4

About 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea

1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 62359300) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
PubChem CID62359300
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)NC2CCCCC2O)c1
InChIInChI=1S/C16H25N3O2/c1-11(17-2)12-6-5-7-13(10-12)18-16(21)19-14-8-3-4-9-15(14)20/h5-7,10-11,14-15,17,20H,3-4,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyJCPVMSBJOWMJBZ-UHFFFAOYSA-N
XLogP2.39
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
CID 129422282
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea
CID 114539731
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea
CID 106197622

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea (CID 62359300) is 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1cccc(NC(=O)NC2CCCCC2O)c1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is JCPVMSBJOWMJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(17-2)12-6-5-7-13(10-12)18-16(21)19-14-8-3-4-9-15(14)20/h5-7,10-11,14-15,17,20H,3-4,8-9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 291.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 62359300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).