N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide

C18H20N2O4 — CID 17191598

IUPACN-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-13(11-16(12-15)24-2)18(22)19-9-8-17(21)20-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHSTKNRAPWMJVLL-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.46
Rot. Bonds7

About N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide

N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide (PubChem CID 17191598) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
PubChem CID17191598
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-13(11-16(12-15)24-2)18(22)19-9-8-17(21)20-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHSTKNRAPWMJVLL-UHFFFAOYSA-N
XLogP2.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191696
propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191638
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17191768

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide (CID 17191598) is N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide?
The InChIKey is HSTKNRAPWMJVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-10-13(11-16(12-15)24-2)18(22)19-9-8-17(21)20-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide?
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 17191598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).