3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea

C21H28N2O3 — CID 86943339

IUPAC3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea
SMILESCOc1cccc(CC(C)NC(=O)N(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C21H28N2O3/c1-16-7-5-10-20(13-16)26-12-11-23(3)21(24)22-17(2)14-18-8-6-9-19(15-18)25-4/h5-10,13,15,17H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyXVBWNKUCNZSTAD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.66
Rot. Bonds8

About 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea

3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea (PubChem CID 86943339) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea
PubChem CID86943339
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea
SMILESCOc1cccc(CC(C)NC(=O)N(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C21H28N2O3/c1-16-7-5-10-20(13-16)26-12-11-23(3)21(24)22-17(2)14-18-8-6-9-19(15-18)25-4/h5-10,13,15,17H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyXVBWNKUCNZSTAD-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide
CID 86941710
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 96532415
1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one
CID 105088613
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea?
The IUPAC name of 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea (CID 86943339) is 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea?
The canonical SMILES for 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea is COc1cccc(CC(C)NC(=O)N(C)CCOc2cccc(C)c2)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea?
The InChIKey is XVBWNKUCNZSTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-7-5-10-20(13-16)26-12-11-23(3)21(24)22-17(2)14-18-8-6-9-19(15-18)25-4/h5-10,13,15,17H,11-12,14H2,1-4H3,(H,22,24).
What are the key properties of 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea?
3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea has a molecular weight of 356.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 86943339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).