1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea

C12H24N2O2 — CID 108902594

IUPAC1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)NCC1CCCC1
InChIInChI=1S/C12H24N2O2/c15-9-5-1-4-8-13-12(16)14-10-11-6-2-3-7-11/h11,15H,1-10H2,(H2,13,14,16)
InChIKeyFCTPEANWGIXQFJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.64
Rot. Bonds7

About 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea

1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea (PubChem CID 108902594) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
PubChem CID108902594
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)NCC1CCCC1
InChIInChI=1S/C12H24N2O2/c15-9-5-1-4-8-13-12(16)14-10-11-6-2-3-7-11/h11,15H,1-10H2,(H2,13,14,16)
InChIKeyFCTPEANWGIXQFJ-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.64
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

7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234379
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
1-(2-hydroxyethyl)-3-(oxan-4-ylmethyl)urea
CID 117234625
4-[(hexylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532469
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxypentyl)urea
CID 108913992
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
1-[(1,1-dioxothian-4-yl)methyl]-3-(2-hydroxyethyl)urea
CID 117234633

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea (CID 108902594) is 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea is O=C(NCCCCCO)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea?
The InChIKey is FCTPEANWGIXQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-9-5-1-4-8-13-12(16)14-10-11-6-2-3-7-11/h11,15H,1-10H2,(H2,13,14,16).
What are the key properties of 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea?
1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(5-hydroxypentyl)urea is sourced from PubChem (CID 108902594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).