N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide

C19H22N2O4 — CID 46755855

IUPACN-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-25-17-10-6-15(7-11-17)21-18(22)12-13-20-19(23)14-4-8-16(24-2)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyXIAJBDKKCIMTSU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.85
Rot. Bonds8

About N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide

N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide (PubChem CID 46755855) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
PubChem CID46755855
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-25-17-10-6-15(7-11-17)21-18(22)12-13-20-19(23)14-4-8-16(24-2)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyXIAJBDKKCIMTSU-UHFFFAOYSA-N
XLogP2.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
3-[[4-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]benzoyl]amino]propanoic acid
CID 108807821
4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 9438552
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
methyl 2-[4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]phenoxy]acetate
CID 55709187
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
CID 55818884
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide (CID 46755855) is N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide is CCOc1ccc(NC(=O)CCNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide?
The InChIKey is XIAJBDKKCIMTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-25-17-10-6-15(7-11-17)21-18(22)12-13-20-19(23)14-4-8-16(24-2)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide?
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide is sourced from PubChem (CID 46755855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).