1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea

C19H30N2O — CID 112806156

IUPAC1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
SMILESCCCC(NC(=O)N(CC)C1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-11-18(16-12-7-5-8-13-16)20-19(22)21(4-2)17-14-9-6-10-15-17/h5,7-8,12-13,17-18H,3-4,6,9-11,14-15H2,1-2H3,(H,20,22)
InChIKeyOMAQGXCFMNIEDG-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.89
Rot. Bonds6

About 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea

1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea (PubChem CID 112806156) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
PubChem CID112806156
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
SMILESCCCC(NC(=O)N(CC)C1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-11-18(16-12-7-5-8-13-16)20-19(22)21(4-2)17-14-9-6-10-15-17/h5,7-8,12-13,17-18H,3-4,6,9-11,14-15H2,1-2H3,(H,20,22)
InChIKeyOMAQGXCFMNIEDG-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[cyclopropyl(ethyl)carbamoyl]amino]-4-phenylbutanoic acid
CID 61195062
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
1-cyclopropyl-1-(3-methylbutyl)-3-(1-phenylbutyl)urea
CID 112832054
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
1-phenylbutylurea
CID 2852079

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea (CID 112806156) is 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea is CCCC(NC(=O)N(CC)C1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea?
The InChIKey is OMAQGXCFMNIEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-11-18(16-12-7-5-8-13-16)20-19(22)21(4-2)17-14-9-6-10-15-17/h5,7-8,12-13,17-18H,3-4,6,9-11,14-15H2,1-2H3,(H,20,22).
What are the key properties of 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea?
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea has a molecular weight of 302.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea is sourced from PubChem (CID 112806156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).