N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide

C22H29N3O4 — CID 113001657

IUPACN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-6-25(7-2)17-8-9-20(15(3)10-17)24-21(26)14-23-22(27)16-11-18(28-4)13-19(12-16)29-5/h8-13H,6-7,14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyTXPKTGNRCYNENQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.23
Rot. Bonds9

About N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide

N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide (PubChem CID 113001657) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
PubChem CID113001657
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)c(C)c1
InChIInChI=1S/C22H29N3O4/c1-6-25(7-2)17-8-9-20(15(3)10-17)24-21(26)14-23-22(27)16-11-18(28-4)13-19(12-16)29-5/h8-13H,6-7,14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyTXPKTGNRCYNENQ-UHFFFAOYSA-N
XLogP3.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 113001675
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide (CID 113001657) is N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide is CCN(CC)c1ccc(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)c(C)c1.
What is the InChIKey of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide?
The InChIKey is TXPKTGNRCYNENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-6-25(7-2)17-8-9-20(15(3)10-17)24-21(26)14-23-22(27)16-11-18(28-4)13-19(12-16)29-5/h8-13H,6-7,14H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide?
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide has a molecular weight of 399.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113001657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).