3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide

C18H28N2O2 — CID 113123613

IUPAC3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1ccccc1C
InChIInChI=1S/C18H28N2O2/c1-5-12-19(13-6-2)18(22)11-14-20(16(4)21)17-10-8-7-9-15(17)3/h7-10H,5-6,11-14H2,1-4H3
InChIKeyOGJCFXVMVCJIDC-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.39
Rot. Bonds8

About 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide

3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide (PubChem CID 113123613) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
PubChem CID113123613
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1ccccc1C
InChIInChI=1S/C18H28N2O2/c1-5-12-19(13-6-2)18(22)11-14-20(16(4)21)17-10-8-7-9-15(17)3/h7-10H,5-6,11-14H2,1-4H3
InChIKeyOGJCFXVMVCJIDC-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide
CID 113134317
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
N-(4-chloro-3-oxobutyl)-N-(2-methylphenyl)acetamide
CID 104700970
3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
CID 113124355
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
CID 113128684
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
CID 113125190

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide (CID 113123613) is 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(C(C)=O)c1ccccc1C.
What is the InChIKey of 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide?
The InChIKey is OGJCFXVMVCJIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-12-19(13-6-2)18(22)11-14-20(16(4)21)17-10-8-7-9-15(17)3/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide?
3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 113123613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).