1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea

C18H26N2O2 — CID 38287346

IUPAC1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCOCC1)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17(20-16-8-4-5-9-16)19-14-18(10-12-22-13-11-18)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,20,21)
InChIKeyFJRPXDJFJVSFKY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.98
Rot. Bonds4

About 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea

1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea (PubChem CID 38287346) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
PubChem CID38287346
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCOCC1)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17(20-16-8-4-5-9-16)19-14-18(10-12-22-13-11-18)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,20,21)
InChIKeyFJRPXDJFJVSFKY-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
1-cyclopentyl-2-methyl-3-[(4-phenyloxan-4-yl)methyl]guanidine;hydroiodide
CID 110992196
1-cycloheptyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604925
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
1-(2-hydroxycyclohexyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 110933213
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55911273
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea (CID 38287346) is 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea is O=C(NCC1(c2ccccc2)CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The InChIKey is FJRPXDJFJVSFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(20-16-8-4-5-9-16)19-14-18(10-12-22-13-11-18)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea?
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea has a molecular weight of 302.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea is sourced from PubChem (CID 38287346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).