3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide

C16H24N2O3 — CID 113128873

IUPAC3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
SMILESCOc1cccc(N(CCC(=O)NCC(C)C)C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-17-16(20)8-9-18(13(3)19)14-6-5-7-15(10-14)21-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,17,20)
InChIKeyVQCRVTFJGLLJCA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds7

About 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide

3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide (PubChem CID 113128873) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
PubChem CID113128873
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
SMILESCOc1cccc(N(CCC(=O)NCC(C)C)C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-17-16(20)8-9-18(13(3)19)14-6-5-7-15(10-14)21-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,17,20)
InChIKeyVQCRVTFJGLLJCA-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
CID 113126503
3-(N-acetyl-3-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113128918
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide (CID 113128873) is 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide is COc1cccc(N(CCC(=O)NCC(C)C)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is VQCRVTFJGLLJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)11-17-16(20)8-9-18(13(3)19)14-6-5-7-15(10-14)21-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,17,20).
What are the key properties of 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide?
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113128873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).