N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

C20H23ClN2O4 — CID 60614192

IUPACN-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-26-17-10-7-15(12-18(17)27-2)20(25)23-13-19(24)22-11-3-4-14-5-8-16(21)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWIYSKJSNCIBQGF-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.84
Rot. Bonds9

About N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 60614192) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID60614192
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-26-17-10-7-15(12-18(17)27-2)20(25)23-13-19(24)22-11-3-4-14-5-8-16(21)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWIYSKJSNCIBQGF-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 95091670
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 60614192) is N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NCCCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is WIYSKJSNCIBQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-26-17-10-7-15(12-18(17)27-2)20(25)23-13-19(24)22-11-3-4-14-5-8-16(21)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)propylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 60614192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).