1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea

C19H30N2O3 — CID 97261269

IUPAC1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)N(C[C@@H](C)O)C1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-14(2)24-18-12-8-7-11-17(18)20-19(23)21(13-15(3)22)16-9-5-4-6-10-16/h7-8,11-12,14-16,22H,4-6,9-10,13H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeySTPDAAQSBVVQCS-OAHLLOKOSA-N
MW334.46 g/mol
LogP4.02
Rot. Bonds6

About 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea

1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 97261269) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
PubChem CID97261269
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccccc1NC(=O)N(C[C@@H](C)O)C1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-14(2)24-18-12-8-7-11-17(18)20-19(23)21(13-15(3)22)16-9-5-4-6-10-16/h7-8,11-12,14-16,22H,4-6,9-10,13H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeySTPDAAQSBVVQCS-OAHLLOKOSA-N
XLogP4.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113159539
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137315
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973
1-butyl-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 108990816
1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea
CID 75505185
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149770

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea (CID 97261269) is 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea is CC(C)Oc1ccccc1NC(=O)N(C[C@@H](C)O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is STPDAAQSBVVQCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)24-18-12-8-7-11-17(18)20-19(23)21(13-15(3)22)16-9-5-4-6-10-16/h7-8,11-12,14-16,22H,4-6,9-10,13H2,1-3H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea?
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 334.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 97261269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).