3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide

C24H32N2O4 — CID 38682731

IUPAC3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-6-13-26(15-23(27)25-20-10-8-7-9-18(20)4)24(28)19-11-12-21(22(14-19)29-5)30-16-17(2)3/h7-12,14,17H,6,13,15-16H2,1-5H3,(H,25,27)
InChIKeyAFDQCINRPJUERV-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.53
Rot. Bonds10

About 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide

3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide (PubChem CID 38682731) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide
PubChem CID38682731
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-6-13-26(15-23(27)25-20-10-8-7-9-18(20)4)24(28)19-11-12-21(22(14-19)29-5)30-16-17(2)3/h7-12,14,17H,6,13,15-16H2,1-5H3,(H,25,27)
InChIKeyAFDQCINRPJUERV-UHFFFAOYSA-N
XLogP4.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 42373991
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 41113774
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 34317168
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826
3-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-N-propyl-1H-quinazoline-7-carboxamide
CID 60504091

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide (CID 38682731) is 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(OCC(C)C)c(OC)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide?
The InChIKey is AFDQCINRPJUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-13-26(15-23(27)25-20-10-8-7-9-18(20)4)24(28)19-11-12-21(22(14-19)29-5)30-16-17(2)3/h7-12,14,17H,6,13,15-16H2,1-5H3,(H,25,27).
What are the key properties of 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide?
3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide has a molecular weight of 412.53 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methylanilino)-2-oxoethyl]-4-(2-methylpropoxy)-N-propylbenzamide is sourced from PubChem (CID 38682731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).