1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea

C16H24N2O — CID 47128258

IUPAC1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-3-13-8-10-14(11-9-13)12(2)17-16(19)18-15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyMWXWKTIUGJYHMN-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds4

About 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea

1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea (PubChem CID 47128258) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
PubChem CID47128258
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-3-13-8-10-14(11-9-13)12(2)17-16(19)18-15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyMWXWKTIUGJYHMN-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 94796883
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675096
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea (CID 47128258) is 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea is CCc1ccc(C(C)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea?
The InChIKey is MWXWKTIUGJYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13-8-10-14(11-9-13)12(2)17-16(19)18-15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea?
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea has a molecular weight of 260.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea is sourced from PubChem (CID 47128258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).