1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea

C17H26N2O2 — CID 111503849

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
SMILESCC1(CO)CCCC1NC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-17(13-20)11-5-10-15(17)19-16(21)18-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,15,20H,5-6,9-13H2,1H3,(H2,18,19,21)
InChIKeyKJHGOVRQWUVMGJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea (PubChem CID 111503849) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
PubChem CID111503849
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
SMILESCC1(CO)CCCC1NC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-17(13-20)11-5-10-15(17)19-16(21)18-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,15,20H,5-6,9-13H2,1H3,(H2,18,19,21)
InChIKeyKJHGOVRQWUVMGJ-UHFFFAOYSA-N
XLogP2.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504886
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505787
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
CID 124874916
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 111505791
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111486882
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232
1-[(4-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504585
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111504256
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 111505618
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 111504183

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea (CID 111503849) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea is CC1(CO)CCCC1NC(=O)NCCCc1ccccc1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea?
The InChIKey is KJHGOVRQWUVMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(13-20)11-5-10-15(17)19-16(21)18-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,15,20H,5-6,9-13H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 111503849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).