1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

C16H32N2O2 — CID 111479340

IUPAC1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)NCCCC1CCCC1
InChIInChI=1S/C16H32N2O2/c1-13(19)11-16(2,3)12-18-15(20)17-10-6-9-14-7-4-5-8-14/h13-14,19H,4-12H2,1-3H3,(H2,17,18,20)
InChIKeyZMWGRLLDEMNNQZ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.05
Rot. Bonds8

About 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (PubChem CID 111479340) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
PubChem CID111479340
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)NCCCC1CCCC1
InChIInChI=1S/C16H32N2O2/c1-13(19)11-16(2,3)12-18-15(20)17-10-6-9-14-7-4-5-8-14/h13-14,19H,4-12H2,1-3H3,(H2,17,18,20)
InChIKeyZMWGRLLDEMNNQZ-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.05
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

3-(3-cyclopentylpropylcarbamoylamino)-2-methylpropanoic acid
CID 114136378
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111504730
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
CID 106005327
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2S)-2-(3-cyclopentylpropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103995487
1-[2-[ethyl(methyl)amino]ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505352
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
1-(3-cyclopentylpropyl)-3-(dicyclopropylmethyl)urea
CID 55597562
3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
CID 106009639

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (CID 111479340) is 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is CC(O)CC(C)(C)CNC(=O)NCCCC1CCCC1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The InChIKey is ZMWGRLLDEMNNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(19)11-16(2,3)12-18-15(20)17-10-6-9-14-7-4-5-8-14/h13-14,19H,4-12H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea has a molecular weight of 284.44 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is sourced from PubChem (CID 111479340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).