methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate

C24H31NO6 — CID 46657435

IUPACmethyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H31NO6/c1-16(2)12-13-31-19-9-6-17(7-10-19)24(27)25-20(15-23(26)30-5)18-8-11-21(28-3)22(14-18)29-4/h6-11,14,16,20H,12-13,15H2,1-5H3,(H,25,27)
InChIKeyLYWWJRQSCCJHMH-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.16
Rot. Bonds11

About methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate

methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate (PubChem CID 46657435) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate
PubChem CID46657435
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H31NO6/c1-16(2)12-13-31-19-9-6-17(7-10-19)24(27)25-20(15-23(26)30-5)18-8-11-21(28-3)22(14-18)29-4/h6-11,14,16,20H,12-13,15H2,1-5H3,(H,25,27)
InChIKeyLYWWJRQSCCJHMH-UHFFFAOYSA-N
XLogP4.16
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119274269
methyl 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoate
CID 17439253
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]propanoate
CID 55490451
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]propanoate
CID 46597144
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930
methyl 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 55514711
methyl 3-(2H-benzotriazole-5-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate
CID 17425922
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
CID 133160886
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoate
CID 17439389

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate (CID 46657435) is methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1ccc(OCCC(C)C)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate?
The InChIKey is LYWWJRQSCCJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO6/c1-16(2)12-13-31-19-9-6-17(7-10-19)24(27)25-20(15-23(26)30-5)18-8-11-21(28-3)22(14-18)29-4/h6-11,14,16,20H,12-13,15H2,1-5H3,(H,25,27).
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate?
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate has a molecular weight of 429.51 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate is sourced from PubChem (CID 46657435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).