1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea

C14H22N2O2 — CID 110775027

IUPAC1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
SMILESCCc1ccc(OC)c(CNC(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-11-6-7-13(18-4)12(8-11)9-15-14(17)16-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,15,16,17)
InChIKeySHHILLUFMURQHE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.47
Rot. Bonds5

About 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea

1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea (PubChem CID 110775027) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
PubChem CID110775027
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
SMILESCCc1ccc(OC)c(CNC(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-11-6-7-13(18-4)12(8-11)9-15-14(17)16-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,15,16,17)
InChIKeySHHILLUFMURQHE-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014
N-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
CID 96660374
2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid
CID 60707492
2-(cyclopropylamino)-N-[(5-ethyl-2-methoxyphenyl)methyl]acetamide
CID 115158448
2-amino-3-[(5-ethyl-2-methoxyphenyl)methylamino]propanoic acid
CID 115240677
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea (CID 110775027) is 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea is CCc1ccc(OC)c(CNC(=O)NC(C)C)c1.
What is the InChIKey of 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea?
The InChIKey is SHHILLUFMURQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-11-6-7-13(18-4)12(8-11)9-15-14(17)16-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea?
1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea has a molecular weight of 250.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110775027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).