1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea

C14H28N2O — CID 116656765

IUPAC1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
SMILESCCN(C)C(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-5-15(4)14(17)16(11-10-12(2)3)13-8-6-7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyIQMLRYGVLHLYME-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.35
Rot. Bonds5

About 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea

1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea (PubChem CID 116656765) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
PubChem CID116656765
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
SMILESCCN(C)C(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-5-15(4)14(17)16(11-10-12(2)3)13-8-6-7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyIQMLRYGVLHLYME-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-3-ethyl-1-(2-hydroxyethyl)-3-methylurea
CID 102861332
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
2-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 54984189
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007383
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
CID 103831497
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide
CID 114291675
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688711
5-amino-N-cyclopentyl-2-methyl-N-(3-methylbutyl)pentanamide
CID 104685340

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea?
The IUPAC name of 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea (CID 116656765) is 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea?
The canonical SMILES for 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea is CCN(C)C(=O)N(CCC(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea?
The InChIKey is IQMLRYGVLHLYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-15(4)14(17)16(11-10-12(2)3)13-8-6-7-9-13/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea?
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea has a molecular weight of 240.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea is sourced from PubChem (CID 116656765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).