N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide

C20H24N2O4 — CID 17191668

IUPACN-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCCN(C(=O)CCNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-4-22(16-8-6-5-7-9-16)19(23)10-11-21-20(24)15-12-17(25-2)14-18(13-15)26-3/h5-9,12-14H,4,10-11H2,1-3H3,(H,21,24)
InChIKeyAIPXICQFHSFDQE-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.88
Rot. Bonds8

About N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide

N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide (PubChem CID 17191668) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
PubChem CID17191668
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCCN(C(=O)CCNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-4-22(16-8-6-5-7-9-16)19(23)10-11-21-20(24)15-12-17(25-2)14-18(13-15)26-3/h5-9,12-14H,4,10-11H2,1-3H3,(H,21,24)
InChIKeyAIPXICQFHSFDQE-UHFFFAOYSA-N
XLogP2.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 3380556
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
N-[3-[bis(2-cyanoethyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191785
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-ethyl-3,5-dimethoxybenzamide
CID 4286127

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide (CID 17191668) is N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide is CCN(C(=O)CCNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The InChIKey is AIPXICQFHSFDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-22(16-8-6-5-7-9-16)19(23)10-11-21-20(24)15-12-17(25-2)14-18(13-15)26-3/h5-9,12-14H,4,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17191668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).