1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea

C20H30N2O2 — CID 111450422

IUPAC1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C20H30N2O2/c1-15(17-8-3-2-4-9-17)22(14-16-6-5-7-16)20(24)21-18-10-12-19(23)13-11-18/h2-4,8-9,15-16,18-19,23H,5-7,10-14H2,1H3,(H,21,24)
InChIKeyXHVJNAMKWPKAPW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.86
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea

1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea (PubChem CID 111450422) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
PubChem CID111450422
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
SMILESCC(c1ccccc1)N(CC1CCC1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C20H30N2O2/c1-15(17-8-3-2-4-9-17)22(14-16-6-5-7-16)20(24)21-18-10-12-19(23)13-11-18/h2-4,8-9,15-16,18-19,23H,5-7,10-14H2,1H3,(H,21,24)
InChIKeyXHVJNAMKWPKAPW-UHFFFAOYSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
CID 119332710
1-(cyclopropylmethyl)-1-(1-phenylethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86876554
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553
N-(cyclobutylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 95635301
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
1-(cyclopropylmethyl)-3-[1-(3,4-difluorophenyl)ethyl]-1-(1-phenylethyl)urea
CID 86876537
1-(cyclobutylmethyl)-3-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-1-propan-2-ylurea
CID 99840857

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea (CID 111450422) is 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea is CC(c1ccccc1)N(CC1CCC1)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea?
The InChIKey is XHVJNAMKWPKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(17-8-3-2-4-9-17)22(14-16-6-5-7-16)20(24)21-18-10-12-19(23)13-11-18/h2-4,8-9,15-16,18-19,23H,5-7,10-14H2,1H3,(H,21,24).
What are the key properties of 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea?
1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea has a molecular weight of 330.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea is sourced from PubChem (CID 111450422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).