2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide

C16H26N2O — CID 43684840

IUPAC2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-9-17-16(19)14(5)18-13(4)15-8-7-11(2)10-12(15)3/h7-8,10,13-14,18H,6,9H2,1-5H3,(H,17,19)
InChIKeyMWLSWMPBRWGJIJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds6

About 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide

2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide (PubChem CID 43684840) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
PubChem CID43684840
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-9-17-16(19)14(5)18-13(4)15-8-7-11(2)10-12(15)3/h7-8,10,13-14,18H,6,9H2,1-5H3,(H,17,19)
InChIKeyMWLSWMPBRWGJIJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292
N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43684764
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
CID 60673321
N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43574139
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine
CID 63449366
N-[1-(2,4-dimethylphenyl)ethyl]-3-methylpentan-2-amine
CID 63448845
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide (CID 43684840) is 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1ccc(C)cc1C.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide?
The InChIKey is MWLSWMPBRWGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-9-17-16(19)14(5)18-13(4)15-8-7-11(2)10-12(15)3/h7-8,10,13-14,18H,6,9H2,1-5H3,(H,17,19).
What are the key properties of 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide?
2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43684840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).