N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide

C17H28N2O — CID 43684764

IUPACN-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
SMILESCCCNC(=O)C(C)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H28N2O/c1-7-8-18-17(20)15(6)19-14(5)16-10-12(3)11(2)9-13(16)4/h9-10,14-15,19H,7-8H2,1-6H3,(H,18,20)
InChIKeyTZOYKXDPRRKMCV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds6

About N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide

N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide (PubChem CID 43684764) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
PubChem CID43684764
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
SMILESCCCNC(=O)C(C)NC(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H28N2O/c1-7-8-18-17(20)15(6)19-14(5)16-10-12(3)11(2)9-13(16)4/h9-10,14-15,19H,7-8H2,1-6H3,(H,18,20)
InChIKeyTZOYKXDPRRKMCV-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43574139
2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
CID 43684840
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
N-propyl-2-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 43221811
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
2-[1-(2,5-dimethylphenyl)ethylamino]-N-methylpropanamide
CID 60673321
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
3-methyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]butanamide
CID 106344280
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
The IUPAC name of N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide (CID 43684764) is N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
The canonical SMILES for N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide is CCCNC(=O)C(C)NC(C)c1cc(C)c(C)cc1C.
What is the InChIKey of N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
The InChIKey is TZOYKXDPRRKMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-7-8-18-17(20)15(6)19-14(5)16-10-12(3)11(2)9-13(16)4/h9-10,14-15,19H,7-8H2,1-6H3,(H,18,20).
What are the key properties of N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide?
N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide is sourced from PubChem (CID 43684764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).