methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea

C17H28N2O2 — CID 153341809

IUPACmethoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
SMILESCC(C)CNC(=O)Nc1ccccc1.COC1CCCC1
InChIInChI=1S/C11H16N2O.C6H12O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10;1-7-6-4-2-3-5-6/h3-7,9H,8H2,1-2H3,(H2,12,13,14);6H,2-5H2,1H3
InChIKeyAEIOBBOKYWZRFB-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.04
Rot. Bonds4

About methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea

methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea (PubChem CID 153341809) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea.

Molecular Properties

Compound Namemethoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
PubChem CID153341809
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namemethoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
SMILESCC(C)CNC(=O)Nc1ccccc1.COC1CCCC1
InChIInChI=1S/C11H16N2O.C6H12O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10;1-7-6-4-2-3-5-6/h3-7,9H,8H2,1-2H3,(H2,12,13,14);6H,2-5H2,1H3
InChIKeyAEIOBBOKYWZRFB-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloropropyl)-3-phenylurea
CID 70181020
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
CID 108783643
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452989
trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407

Frequently Asked Questions

What is the IUPAC name of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
The IUPAC name of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea (CID 153341809) is methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea.
What is the SMILES notation for methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
The canonical SMILES for methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea is CC(C)CNC(=O)Nc1ccccc1.COC1CCCC1.
What is the InChIKey of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
The InChIKey is AEIOBBOKYWZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C6H12O/c1-9(2)8-12-11(14)13-10-6-4-3-5-7-10;1-7-6-4-2-3-5-6/h3-7,9H,8H2,1-2H3,(H2,12,13,14);6H,2-5H2,1H3.
What are the key properties of methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea?
methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea has a molecular weight of 292.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea is sourced from PubChem (CID 153341809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).