N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide

C21H26N2O7 — CID 4921158

IUPACN-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(NC(=O)C(C)O)c1
InChIInChI=1S/C21H26N2O7/c1-6-30-14-7-8-15(16(11-14)23-20(25)12(2)24)22-21(26)13-9-17(27-3)19(29-5)18(10-13)28-4/h7-12,24H,6H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyJKOISIFDPZQGKE-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.68
Rot. Bonds9

About N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide

N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 4921158) has the molecular formula C21H26N2O7 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID4921158
Molecular FormulaC21H26N2O7
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC NameN-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(NC(=O)C(C)O)c1
InChIInChI=1S/C21H26N2O7/c1-6-30-14-7-8-15(16(11-14)23-20(25)12(2)24)22-21(26)13-9-17(27-3)19(29-5)18(10-13)28-4/h7-12,24H,6H2,1-5H3,(H,22,26)(H,23,25)
InChIKeyJKOISIFDPZQGKE-UHFFFAOYSA-N
XLogP2.68
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
3-bromo-N-(2,4-dimethoxyphenyl)-5-ethoxy-4-methoxybenzamide
CID 7930887
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
CID 9490111
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide (CID 4921158) is N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide is CCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(NC(=O)C(C)O)c1.
What is the InChIKey of N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is JKOISIFDPZQGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7/c1-6-30-14-7-8-15(16(11-14)23-20(25)12(2)24)22-21(26)13-9-17(27-3)19(29-5)18(10-13)28-4/h7-12,24H,6H2,1-5H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide?
N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 418.45 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-2-(2-hydroxypropanoylamino)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4921158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).