methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate

C25H25NO6 — CID 16567479

IUPACmethyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C25H25NO6/c1-16-10-11-18(25(28)31-4)12-20(16)26-24(27)19-13-21(29-2)23(22(14-19)30-3)32-15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3,(H,26,27)
InChIKeyUVYJMZKDBUXYMU-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.63
Rot. Bonds8

About methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate

methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate (PubChem CID 16567479) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
PubChem CID16567479
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Namemethyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C25H25NO6/c1-16-10-11-18(25(28)31-4)12-20(16)26-24(27)19-13-21(29-2)23(22(14-19)30-3)32-15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3,(H,26,27)
InChIKeyUVYJMZKDBUXYMU-UHFFFAOYSA-N
XLogP4.63
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24681669
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate (CID 16567479) is methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)c1.
What is the InChIKey of methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate?
The InChIKey is UVYJMZKDBUXYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-16-10-11-18(25(28)31-4)12-20(16)26-24(27)19-13-21(29-2)23(22(14-19)30-3)32-15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3,(H,26,27).
What are the key properties of methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate?
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate has a molecular weight of 435.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate is sourced from PubChem (CID 16567479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).