N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide

C19H22N2O5 — CID 17154620

IUPACN-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
SMILESCOc1cc(NC(=O)CCNC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-24-15-11-14(12-16(25-2)18(15)26-3)21-17(22)9-10-20-19(23)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNPXCBOFCRSQCJE-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.47
Rot. Bonds8

About N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide

N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide (PubChem CID 17154620) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
PubChem CID17154620
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
SMILESCOc1cc(NC(=O)CCNC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-24-15-11-14(12-16(25-2)18(15)26-3)21-17(22)9-10-20-19(23)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNPXCBOFCRSQCJE-UHFFFAOYSA-N
XLogP2.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide?
The IUPAC name of N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide (CID 17154620) is N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide is COc1cc(NC(=O)CCNC(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide?
The InChIKey is NPXCBOFCRSQCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-15-11-14(12-16(25-2)18(15)26-3)21-17(22)9-10-20-19(23)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide?
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide has a molecular weight of 358.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide is sourced from PubChem (CID 17154620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).