N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide

C16H26N2O — CID 43221777

IUPACN-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-7-17-16(19)14(5)18-10-15-12(3)8-11(2)9-13(15)4/h8-9,14,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyNGVOFDAZXXHTCT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.62
Rot. Bonds6

About N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide

N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide (PubChem CID 43221777) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
PubChem CID43221777
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-7-17-16(19)14(5)18-10-15-12(3)8-11(2)9-13(15)4/h8-9,14,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyNGVOFDAZXXHTCT-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-[(2,4,5-trimethylphenyl)methylamino]propanamide
CID 43221811
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide
CID 107037878
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-propylpropanamide
CID 60695703
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide?
The IUPAC name of N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide (CID 43221777) is N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide.
What is the SMILES notation for N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide?
The canonical SMILES for N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide is CCCNC(=O)C(C)NCc1c(C)cc(C)cc1C.
What is the InChIKey of N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide?
The InChIKey is NGVOFDAZXXHTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-7-17-16(19)14(5)18-10-15-12(3)8-11(2)9-13(15)4/h8-9,14,18H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide?
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide is sourced from PubChem (CID 43221777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).