1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea

C21H28N2O3 — CID 125444288

IUPAC1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea
SMILESCCCOc1ccccc1[C@@H](C)NC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-5-13-26-20-12-7-6-11-19(20)16(2)22-21(24)23(3)15-17-9-8-10-18(14-17)25-4/h6-12,14,16H,5,13,15H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyQSDFOGYBQFIYAJ-MRXNPFEDSA-N
MW356.47 g/mol
LogP4.39
Rot. Bonds8

About 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea

1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea (PubChem CID 125444288) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea
PubChem CID125444288
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea
SMILESCCCOc1ccccc1[C@@H](C)NC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C21H28N2O3/c1-5-13-26-20-12-7-6-11-19(20)16(2)22-21(24)23(3)15-17-9-8-10-18(14-17)25-4/h6-12,14,16H,5,13,15H2,1-4H3,(H,22,24)/t16-/m1/s1
InChIKeyQSDFOGYBQFIYAJ-MRXNPFEDSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea with MolForge

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Related Compounds

(2R)-2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009414
1-[(3-cyanophenyl)methyl]-3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylurea
CID 55629552
1-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-methyl-3-[1-(2-propoxyphenyl)ethyl]urea
CID 122562663
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide
CID 9477565
3-[1-(2-methoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 75459929
(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 29251286
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
3-[1-(2,5-dimethoxyphenyl)ethyl]-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55472464
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 56581932
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132718151

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea (CID 125444288) is 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea is CCCOc1ccccc1[C@@H](C)NC(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea?
The InChIKey is QSDFOGYBQFIYAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-13-26-20-12-7-6-11-19(20)16(2)22-21(24)23(3)15-17-9-8-10-18(14-17)25-4/h6-12,14,16H,5,13,15H2,1-4H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea?
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea has a molecular weight of 356.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(1R)-1-(2-propoxyphenyl)ethyl]urea is sourced from PubChem (CID 125444288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).