3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea

C25H37N3O5 — CID 70040355

IUPAC3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea
SMILESCCCN(CCN(C)CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H37N3O5/c1-7-13-28(25(29)26-20-9-11-22(31-4)24(18-20)33-6)16-15-27(2)14-12-19-8-10-21(30-3)23(17-19)32-5/h8-11,17-18H,7,12-16H2,1-6H3,(H,26,29)
InChIKeyDNZXUYLCHGMXEM-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.14
Rot. Bonds13

About 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea

3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea (PubChem CID 70040355) has the molecular formula C25H37N3O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea
PubChem CID70040355
Molecular FormulaC25H37N3O5
Molecular Weight459.59 g/mol
Exact Mass459.27
IUPAC Name3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea
SMILESCCCN(CCN(C)CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H37N3O5/c1-7-13-28(25(29)26-20-9-11-22(31-4)24(18-20)33-6)16-15-27(2)14-12-19-8-10-21(30-3)23(17-19)32-5/h8-11,17-18H,7,12-16H2,1-6H3,(H,26,29)
InChIKeyDNZXUYLCHGMXEM-UHFFFAOYSA-N
XLogP4.14
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea with MolForge

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Related Compounds

1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-propylurea
CID 108891350
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)carbamoyl-propylamino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3958735
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 118766247
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide
CID 3940325
4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
CID 110424664
2-[(3-chlorophenyl)carbamoyl-propylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3895102
3-[3-[3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoyloxy]propoxy]propoxy]propyl butanoate
CID 59793356

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea (CID 70040355) is 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea is CCCN(CCN(C)CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea?
The InChIKey is DNZXUYLCHGMXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O5/c1-7-13-28(25(29)26-20-9-11-22(31-4)24(18-20)33-6)16-15-27(2)14-12-19-8-10-21(30-3)23(17-19)32-5/h8-11,17-18H,7,12-16H2,1-6H3,(H,26,29).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea?
3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea has a molecular weight of 459.59 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-1-propylurea is sourced from PubChem (CID 70040355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).