N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide

C18H20N2O4 — CID 9096644

IUPACN-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
SMILESCOc1cc(NC(=O)CCNC(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-14(11-16(12-15)24-2)20-17(21)8-9-19-18(22)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOWOVXNZJMQZWBK-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide

N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide (PubChem CID 9096644) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
PubChem CID9096644
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
SMILESCOc1cc(NC(=O)CCNC(=O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-10-14(11-16(12-15)24-2)20-17(21)8-9-19-18(22)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOWOVXNZJMQZWBK-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-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191696
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide (CID 9096644) is N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide is COc1cc(NC(=O)CCNC(=O)c2ccccc2)cc(OC)c1.
What is the InChIKey of N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide?
The InChIKey is OWOVXNZJMQZWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-10-14(11-16(12-15)24-2)20-17(21)8-9-19-18(22)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide?
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide 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-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 9096644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).