3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide

C16H26N2O — CID 60960943

IUPAC3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cc(C)ccc1C
InChIInChI=1S/C16H26N2O/c1-5-18(6-2)16(19)9-10-17-12-15-11-13(3)7-8-14(15)4/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyWZYYOEIJNPISLE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide

3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 60960943) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
PubChem CID60960943
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1cc(C)ccc1C
InChIInChI=1S/C16H26N2O/c1-5-18(6-2)16(19)9-10-17-12-15-11-13(3)7-8-14(15)4/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyWZYYOEIJNPISLE-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.65
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

N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 60925508
ethyl 3-[(2,5-dimethylphenyl)methylamino]propanoate
CID 23052926
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
3-[(2,3-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54944678
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
4-[[[3-(diethylamino)-3-oxopropyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103263294
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 78786758
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide (CID 60960943) is 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCc1cc(C)ccc1C.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is WZYYOEIJNPISLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-18(6-2)16(19)9-10-17-12-15-11-13(3)7-8-14(15)4/h7-8,11,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide?
3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60960943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).