2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide

C15H24N2O — CID 10634314

IUPAC2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide
SMILESCc1ccc(NCCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-12-6-8-13(9-7-12)16-10-5-11-17-14(18)15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyROVZAMDZEOANQI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.96
Rot. Bonds5

About 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide

2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide (PubChem CID 10634314) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide
PubChem CID10634314
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide
SMILESCc1ccc(NCCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-12-6-8-13(9-7-12)16-10-5-11-17-14(18)15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyROVZAMDZEOANQI-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
CID 102485027
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
ethane;methyl 4-(4-methylanilino)butanoate
CID 170958107
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
CID 108540704
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
4-(4-methylanilino)butane-1-sulfinic acid
CID 143223899
6-(4-methylanilino)hexyl acetate
CID 142531812

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide (CID 10634314) is 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide is Cc1ccc(NCCCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide?
The InChIKey is ROVZAMDZEOANQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-6-8-13(9-7-12)16-10-5-11-17-14(18)15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide?
2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide is sourced from PubChem (CID 10634314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).