3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide

C17H28N2O — CID 109019300

IUPAC3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-12-19(13-5-2)17(20)10-11-18-14-16-9-7-6-8-15(16)3/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeyFHDYGPVGWHJFOD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.12
Rot. Bonds9

About 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide

3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide (PubChem CID 109019300) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
PubChem CID109019300
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCNCc1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-12-19(13-5-2)17(20)10-11-18-14-16-9-7-6-8-15(16)3/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeyFHDYGPVGWHJFOD-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.12
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-(benzylamino)-N,N-dipropylpropanamide
CID 109018966
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
CID 109019309
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019631
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 60960943
methyl 2-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]benzoate
CID 60925943
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide?
The IUPAC name of 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide (CID 109019300) is 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide?
The canonical SMILES for 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCNCc1ccccc1C.
What is the InChIKey of 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide?
The InChIKey is FHDYGPVGWHJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-12-19(13-5-2)17(20)10-11-18-14-16-9-7-6-8-15(16)3/h6-9,18H,4-5,10-14H2,1-3H3.
What are the key properties of 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide?
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide is sourced from PubChem (CID 109019300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).