1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea

C20H26N2O3 — CID 112971419

IUPAC1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
SMILESCOc1ccccc1OCCNC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H26N2O3/c1-16(2)22(15-17-9-5-4-6-10-17)20(23)21-13-14-25-19-12-8-7-11-18(19)24-3/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyZCXPOUDLQLJDTC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.69
Rot. Bonds8

About 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea

1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea (PubChem CID 112971419) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
PubChem CID112971419
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
SMILESCOc1ccccc1OCCNC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H26N2O3/c1-16(2)22(15-17-9-5-4-6-10-17)20(23)21-13-14-25-19-12-8-7-11-18(19)24-3/h4-12,16H,13-15H2,1-3H3,(H,21,23)
InChIKeyZCXPOUDLQLJDTC-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112975497
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
1-benzyl-3-[2-(4-bromophenoxy)ethyl]-1-propan-2-ylurea
CID 112971306
1-benzyl-1-propan-2-yl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974315
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
1-benzyl-3-[3-(4-methylphenoxy)propyl]-1-propan-2-ylurea
CID 108881235
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea (CID 112971419) is 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea is COc1ccccc1OCCNC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea?
The InChIKey is ZCXPOUDLQLJDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16(2)22(15-17-9-5-4-6-10-17)20(23)21-13-14-25-19-12-8-7-11-18(19)24-3/h4-12,16H,13-15H2,1-3H3,(H,21,23).
What are the key properties of 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea?
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea has a molecular weight of 342.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 112971419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).