N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide

C15H22N2O — CID 68565424

IUPACN-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNc1cc(C)ccc1C
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)17-9-5-8-16-14-10-12(3)6-7-13(14)4/h6-7,10,16H,1,5,8-9H2,2-4H3,(H,17,18)
InChIKeyMRQAWLGOMWJSPJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.80
Rot. Bonds6

About N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide

N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide (PubChem CID 68565424) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide
PubChem CID68565424
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNc1cc(C)ccc1C
InChIInChI=1S/C15H22N2O/c1-11(2)15(18)17-9-5-8-16-14-10-12(3)6-7-13(14)4/h6-7,10,16H,1,5,8-9H2,2-4H3,(H,17,18)
InChIKeyMRQAWLGOMWJSPJ-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide 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

N-[2-(2,5-dimethylanilino)ethyl]acetamide
CID 103604085
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
(2,5-dimethylanilino)methanesulfonic acid
CID 3019008
2,5-dimethyl-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106723108
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide (CID 68565424) is N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCNc1cc(C)ccc1C.
What is the InChIKey of N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide?
The InChIKey is MRQAWLGOMWJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)15(18)17-9-5-8-16-14-10-12(3)6-7-13(14)4/h6-7,10,16H,1,5,8-9H2,2-4H3,(H,17,18).
What are the key properties of N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide?
N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide has a molecular weight of 246.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 68565424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).