1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid

C22H28N2O3 — CID 143736806

IUPAC1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
SMILESO=C(NCCc1ccccc1)Nc1ccc(C2CCCCC2)cc1.O=CO
InChIInChI=1S/C21H26N2O.CH2O2/c24-21(22-16-15-17-7-3-1-4-8-17)23-20-13-11-19(12-14-20)18-9-5-2-6-10-18;2-1-3/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15-16H2,(H2,22,23,24);1H,(H,2,3)
InChIKeyQRHNLILMYKXMOA-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.80
Rot. Bonds5

About 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid

1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid (PubChem CID 143736806) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
PubChem CID143736806
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
SMILESO=C(NCCc1ccccc1)Nc1ccc(C2CCCCC2)cc1.O=CO
InChIInChI=1S/C21H26N2O.CH2O2/c24-21(22-16-15-17-7-3-1-4-8-17)23-20-13-11-19(12-14-20)18-9-5-2-6-10-18;2-1-3/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15-16H2,(H2,22,23,24);1H,(H,2,3)
InChIKeyQRHNLILMYKXMOA-UHFFFAOYSA-N
XLogP4.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 72901107
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
N-(4-cyclohexylphenyl)benzamide
CID 10333838
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
CID 143736831
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid (CID 143736806) is 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid is O=C(NCCc1ccccc1)Nc1ccc(C2CCCCC2)cc1.O=CO.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid?
The InChIKey is QRHNLILMYKXMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.CH2O2/c24-21(22-16-15-17-7-3-1-4-8-17)23-20-13-11-19(12-14-20)18-9-5-2-6-10-18;2-1-3/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15-16H2,(H2,22,23,24);1H,(H,2,3).
What are the key properties of 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid?
1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid has a molecular weight of 368.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid is sourced from PubChem (CID 143736806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).