N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide

C13H20N2O2 — CID 47308010

IUPACN-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-8-11(15(3)4)6-7-12(9)14-13(16)10(2)17-5/h6-8,10H,1-5H3,(H,14,16)
InChIKeyIDIMILKICXTNSZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.03
Rot. Bonds4

About N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide

N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide (PubChem CID 47308010) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
PubChem CID47308010
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-9-8-11(15(3)4)6-7-12(9)14-13(16)10(2)17-5/h6-8,10H,1-5H3,(H,14,16)
InChIKeyIDIMILKICXTNSZ-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide 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

2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
1-N-(3-methoxybutan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115916626
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 60853749
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682
N-[1-[4-(dimethylamino)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55780216
(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 837387
N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 55122413

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide (CID 47308010) is N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide is COC(C)C(=O)Nc1ccc(N(C)C)cc1C.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide?
The InChIKey is IDIMILKICXTNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-8-11(15(3)4)6-7-12(9)14-13(16)10(2)17-5/h6-8,10H,1-5H3,(H,14,16).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide?
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide has a molecular weight of 236.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide is sourced from PubChem (CID 47308010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).