3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide

C21H26N2O5 — CID 26776799

IUPAC3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(C(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-13(2)14-7-6-8-16(9-14)23-19(24)12-22-21(25)15-10-17(26-3)20(28-5)18(11-15)27-4/h6-11,13H,12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyDSFKCHHDIFCPQS-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.20
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide (PubChem CID 26776799) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
PubChem CID26776799
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(C(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-13(2)14-7-6-8-16(9-14)23-19(24)12-22-21(25)15-10-17(26-3)20(28-5)18(11-15)27-4/h6-11,13H,12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyDSFKCHHDIFCPQS-UHFFFAOYSA-N
XLogP3.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
3,4,5-trimethoxy-N-[2-[3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 30831168
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate
CID 112999873
3,5-dichloro-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 18276879

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide (CID 26776799) is 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide is COc1cc(C(=O)NCC(=O)Nc2cccc(C(C)C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is DSFKCHHDIFCPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13(2)14-7-6-8-16(9-14)23-19(24)12-22-21(25)15-10-17(26-3)20(28-5)18(11-15)27-4/h6-11,13H,12H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 26776799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).