N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide

C15H24N2O — CID 54886707

IUPACN,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
SMILESCN(C)C(=O)CCNCC(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(2,13-8-6-5-7-9-13)12-16-11-10-14(18)17(3)4/h5-9,16H,10-12H2,1-4H3
InChIKeyZKLKQCKZKHSARR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.03
Rot. Bonds6

About N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide

N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide (PubChem CID 54886707) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
PubChem CID54886707
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
SMILESCN(C)C(=O)CCNCC(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-15(2,13-8-6-5-7-9-13)12-16-11-10-14(18)17(3)4/h5-9,16H,10-12H2,1-4H3
InChIKeyZKLKQCKZKHSARR-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
CID 62375011
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
3-anilino-N,N-dimethylpropanamide
CID 60961994
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
CID 54886399
3-[[2-(3-bromophenyl)-2-methylpropyl]amino]propanoic acid
CID 115218396
3-[(2-methyl-2-phenylpropyl)amino]propane-1-thiol
CID 115225308
2-[[N'-benzyl-N-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364252
N-(2-methylbutan-2-yl)-2-[(2-methyl-2-phenylpropyl)amino]acetamide
CID 60976584
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide (CID 54886707) is N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide is CN(C)C(=O)CCNCC(C)(C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide?
The InChIKey is ZKLKQCKZKHSARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,13-8-6-5-7-9-13)12-16-11-10-14(18)17(3)4/h5-9,16H,10-12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide?
N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide is sourced from PubChem (CID 54886707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).