1-(5-methylhexan-3-yl)-3-phenylurea

C14H22N2O — CID 19835712

IUPAC1-(5-methylhexan-3-yl)-3-phenylurea
SMILESCCC(CC(C)C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-12(10-11(2)3)15-14(17)16-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H2,15,16,17)
InChIKeyZDZPGWMEDWZPMF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.63
Rot. Bonds5

About 1-(5-methylhexan-3-yl)-3-phenylurea

1-(5-methylhexan-3-yl)-3-phenylurea (PubChem CID 19835712) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(5-methylhexan-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-methylhexan-3-yl)-3-phenylurea
PubChem CID19835712
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(5-methylhexan-3-yl)-3-phenylurea
SMILESCCC(CC(C)C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-12(10-11(2)3)15-14(17)16-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H2,15,16,17)
InChIKeyZDZPGWMEDWZPMF-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
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1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
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CID 95777024

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-3-yl)-3-phenylurea?
The IUPAC name of 1-(5-methylhexan-3-yl)-3-phenylurea (CID 19835712) is 1-(5-methylhexan-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(5-methylhexan-3-yl)-3-phenylurea?
The canonical SMILES for 1-(5-methylhexan-3-yl)-3-phenylurea is CCC(CC(C)C)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(5-methylhexan-3-yl)-3-phenylurea?
The InChIKey is ZDZPGWMEDWZPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12(10-11(2)3)15-14(17)16-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(5-methylhexan-3-yl)-3-phenylurea?
1-(5-methylhexan-3-yl)-3-phenylurea has a molecular weight of 234.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-3-yl)-3-phenylurea is sourced from PubChem (CID 19835712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).