1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea

C16H26N2O2 — CID 42952673

IUPAC1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea
SMILESCCCC(C)NC(=O)NCCc1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-6-13(3)18-16(19)17-10-9-14-11-12(2)7-8-15(14)20-4/h7-8,11,13H,5-6,9-10H2,1-4H3,(H2,17,18,19)
InChIKeyORYXZXIEUANZFQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.03
Rot. Bonds7

About 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea

1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea (PubChem CID 42952673) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea
PubChem CID42952673
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea
SMILESCCCC(C)NC(=O)NCCc1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-6-13(3)18-16(19)17-10-9-14-11-12(2)7-8-15(14)20-4/h7-8,11,13H,5-6,9-10H2,1-4H3,(H2,17,18,19)
InChIKeyORYXZXIEUANZFQ-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea 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-[(1R)-3-hydroxy-1-phenylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
CID 111454117
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]urea
CID 41405020
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125264
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpentanamide
CID 119693075
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid
CID 60707492

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea?
The IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea (CID 42952673) is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea.
What is the SMILES notation for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea?
The canonical SMILES for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea is CCCC(C)NC(=O)NCCc1cc(C)ccc1OC.
What is the InChIKey of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea?
The InChIKey is ORYXZXIEUANZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-13(3)18-16(19)17-10-9-14-11-12(2)7-8-15(14)20-4/h7-8,11,13H,5-6,9-10H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea?
1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea has a molecular weight of 278.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pentan-2-ylurea is sourced from PubChem (CID 42952673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).