1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea

C18H27N3O3 — CID 95634857

IUPAC1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
SMILESC[C@@H]1CN(c2ccc(NC(=O)NC3CCC(O)CC3)cc2)CCO1
InChIInChI=1S/C18H27N3O3/c1-13-12-21(10-11-24-13)16-6-2-14(3-7-16)19-18(23)20-15-4-8-17(22)9-5-15/h2-3,6-7,13,15,17,22H,4-5,8-12H2,1H3,(H2,19,20,23)/t13-,15?,17?/m1/s1
InChIKeyADOQPMZTCGSOJI-BZOOQXSSSA-N
MW333.43 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea

1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea (PubChem CID 95634857) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
PubChem CID95634857
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea
SMILESC[C@@H]1CN(c2ccc(NC(=O)NC3CCC(O)CC3)cc2)CCO1
InChIInChI=1S/C18H27N3O3/c1-13-12-21(10-11-24-13)16-6-2-14(3-7-16)19-18(23)20-15-4-8-17(22)9-5-15/h2-3,6-7,13,15,17,22H,4-5,8-12H2,1H3,(H2,19,20,23)/t13-,15?,17?/m1/s1
InChIKeyADOQPMZTCGSOJI-BZOOQXSSSA-N
XLogP2.34
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
4-methyl-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637249
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
2-chloro-N-[4-(2-methylmorpholin-4-yl)phenyl]benzamide
CID 110637279
1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
CID 112981733
N-[4-(2-methylmorpholin-4-yl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110637302
1-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95634852
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea (CID 95634857) is 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea is C[C@@H]1CN(c2ccc(NC(=O)NC3CCC(O)CC3)cc2)CCO1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea?
The InChIKey is ADOQPMZTCGSOJI-BZOOQXSSSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-12-21(10-11-24-13)16-6-2-14(3-7-16)19-18(23)20-15-4-8-17(22)9-5-15/h2-3,6-7,13,15,17,22H,4-5,8-12H2,1H3,(H2,19,20,23)/t13-,15?,17?/m1/s1.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea?
1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea has a molecular weight of 333.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]urea is sourced from PubChem (CID 95634857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).