3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea

C21H28N2O4 — CID 52510628

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCOc1ccc(C[C@@H](C)N(C)C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H28N2O4/c1-15(12-16-6-9-18(25-3)10-7-16)23(2)21(24)22-14-17-8-11-19(26-4)20(13-17)27-5/h6-11,13,15H,12,14H2,1-5H3,(H,22,24)/t15-/m1/s1
InChIKeyCERCBMMATAEUNF-OAHLLOKOSA-N
MW372.47 g/mol
LogP3.48
Rot. Bonds8

About 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea

3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea (PubChem CID 52510628) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
PubChem CID52510628
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCOc1ccc(C[C@@H](C)N(C)C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H28N2O4/c1-15(12-16-6-9-18(25-3)10-7-16)23(2)21(24)22-14-17-8-11-19(26-4)20(13-17)27-5/h6-11,13,15H,12,14H2,1-5H3,(H,22,24)/t15-/m1/s1
InChIKeyCERCBMMATAEUNF-OAHLLOKOSA-N
XLogP3.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea with MolForge

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62639198
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea (CID 52510628) is 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea is COc1ccc(C[C@@H](C)N(C)C(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
The InChIKey is CERCBMMATAEUNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15(12-16-6-9-18(25-3)10-7-16)23(2)21(24)22-14-17-8-11-19(26-4)20(13-17)27-5/h6-11,13,15H,12,14H2,1-5H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea?
3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea has a molecular weight of 372.47 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea is sourced from PubChem (CID 52510628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).