1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea

C20H32N2O3 — CID 94650228

IUPAC1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
SMILESCC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C20H32N2O3/c1-14(2)25-19-12-6-16(7-13-19)5-4-15(3)21-20(24)22-17-8-10-18(23)11-9-17/h6-7,12-15,17-18,23H,4-5,8-11H2,1-3H3,(H2,21,22,24)/t15-,17?,18?/m1/s1
InChIKeyKJTMFCCHJVRRQP-FAEJEUNOSA-N
MW348.49 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea

1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea (PubChem CID 94650228) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
PubChem CID94650228
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
SMILESCC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C20H32N2O3/c1-14(2)25-19-12-6-16(7-13-19)5-4-15(3)21-20(24)22-17-8-10-18(23)11-9-17/h6-7,12-15,17-18,23H,4-5,8-11H2,1-3H3,(H2,21,22,24)/t15-,17?,18?/m1/s1
InChIKeyKJTMFCCHJVRRQP-FAEJEUNOSA-N
XLogP3.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 43116380
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 96541637
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60543893
4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119720999
1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
CID 51088386
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea (CID 94650228) is 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea is CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
The InChIKey is KJTMFCCHJVRRQP-FAEJEUNOSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(2)25-19-12-6-16(7-13-19)5-4-15(3)21-20(24)22-17-8-10-18(23)11-9-17/h6-7,12-15,17-18,23H,4-5,8-11H2,1-3H3,(H2,21,22,24)/t15-,17?,18?/m1/s1.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea?
1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea has a molecular weight of 348.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 94650228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).