methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate

C27H30N2O6 — CID 3694669

IUPACmethyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
SMILESCOC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H30N2O6/c1-17-11-12-21(29-27(31)19-14-22(32-2)26(35-5)23(15-19)33-3)20(13-17)25(28-16-24(30)34-4)18-9-7-6-8-10-18/h6-15,25,28H,16H2,1-5H3,(H,29,31)
InChIKeyKBHAPPIEQCECJB-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.13
Rot. Bonds10

About methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate

methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate (PubChem CID 3694669) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
PubChem CID3694669
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Namemethyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
SMILESCOC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H30N2O6/c1-17-11-12-21(29-27(31)19-14-22(32-2)26(35-5)23(15-19)33-3)20(13-17)25(28-16-24(30)34-4)18-9-7-6-8-10-18/h6-15,25,28H,16H2,1-5H3,(H,29,31)
InChIKeyKBHAPPIEQCECJB-UHFFFAOYSA-N
XLogP4.13
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[(S)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740111
methyl 2-[[(R)-[5-chloro-2-[(2,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 124740110
methyl 2-[[(S)-(2-acetamido-5-bromophenyl)-phenylmethyl]amino]acetate
CID 1373152
methyl 2-[[(R)-[5-bromo-2-[(2-bromobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 1354248
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60537329
methyl 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-phenylmethyl]amino]acetate
CID 3108120
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate?
The IUPAC name of methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate (CID 3694669) is methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate?
The canonical SMILES for methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate is COC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate?
The InChIKey is KBHAPPIEQCECJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-17-11-12-21(29-27(31)19-14-22(32-2)26(35-5)23(15-19)33-3)20(13-17)25(28-16-24(30)34-4)18-9-7-6-8-10-18/h6-15,25,28H,16H2,1-5H3,(H,29,31).
What are the key properties of methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate?
methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate has a molecular weight of 478.55 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate is sourced from PubChem (CID 3694669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).