N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide

C15H24N2O — CID 166591494

IUPACN-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
SMILESCNCCCN(C)C(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-12(2)13-7-5-8-14(11-13)15(18)17(4)10-6-9-16-3/h5,7-8,11-12,16H,6,9-10H2,1-4H3
InChIKeyJMQOGUNSWKQKCH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds6

About N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide

N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide (PubChem CID 166591494) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
PubChem CID166591494
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
SMILESCNCCCN(C)C(=O)c1cccc(C(C)C)c1
InChIInChI=1S/C15H24N2O/c1-12(2)13-7-5-8-14(11-13)15(18)17(4)10-6-9-16-3/h5,7-8,11-12,16H,6,9-10H2,1-4H3
InChIKeyJMQOGUNSWKQKCH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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

4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 107672200
6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115353690
3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056374
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
N-[2-(dimethylamino)ethyl]-N-methyl-3-(4-propan-2-ylphenyl)benzamide
CID 169277904
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
CID 70790159
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
3-methoxy-N-methyl-N-[3-(methylamino)propyl]-4-nitrobenzamide
CID 104783349
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
2-methyl-N-[(1R)-1-[3-[methyl-[2-(methylamino)ethyl]carbamoyl]phenyl]ethyl]-5-(4-methylpiperazin-1-yl)benzamide;hydrochloride
CID 165116219
N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide
CID 170970709

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide?
The IUPAC name of N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide (CID 166591494) is N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide is CNCCCN(C)C(=O)c1cccc(C(C)C)c1.
What is the InChIKey of N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide?
The InChIKey is JMQOGUNSWKQKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)13-7-5-8-14(11-13)15(18)17(4)10-6-9-16-3/h5,7-8,11-12,16H,6,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide?
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide is sourced from PubChem (CID 166591494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).