1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea

C15H28N2O — CID 108915473

IUPAC1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea
SMILESCCCCN(CCCC)C(=O)N/C=C(\C)C1CC1
InChIInChI=1S/C15H28N2O/c1-4-6-10-17(11-7-5-2)15(18)16-12-13(3)14-8-9-14/h12,14H,4-11H2,1-3H3,(H,16,18)/b13-12+
InChIKeyDZJQLGLDZGVZEW-OUKQBFOZSA-N
MW252.40 g/mol
LogP3.91
Rot. Bonds8

About 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea

1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea (PubChem CID 108915473) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea.

Molecular Properties

Compound Name1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea
PubChem CID108915473
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea
SMILESCCCCN(CCCC)C(=O)N/C=C(\C)C1CC1
InChIInChI=1S/C15H28N2O/c1-4-6-10-17(11-7-5-2)15(18)16-12-13(3)14-8-9-14/h12,14H,4-11H2,1-3H3,(H,16,18)/b13-12+
InChIKeyDZJQLGLDZGVZEW-OUKQBFOZSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
N-[(E)-2-cyclopropylprop-1-enyl]but-1-en-2-amine
CID 139382954
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
CID 177477585
CID 177477585
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
1,1-dibutyl-3-tert-butylurea
CID 11413547
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
2-[acetyl(butyl)amino]-N-cyclopropylacetamide
CID 113158611
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 62781326
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea?
The IUPAC name of 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea (CID 108915473) is 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea.
What is the SMILES notation for 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea?
The canonical SMILES for 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea is CCCCN(CCCC)C(=O)N/C=C(\C)C1CC1.
What is the InChIKey of 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea?
The InChIKey is DZJQLGLDZGVZEW-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-6-10-17(11-7-5-2)15(18)16-12-13(3)14-8-9-14/h12,14H,4-11H2,1-3H3,(H,16,18)/b13-12+.
What are the key properties of 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea?
1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea has a molecular weight of 252.40 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-[(E)-2-cyclopropylprop-1-enyl]urea is sourced from PubChem (CID 108915473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).