N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide

C17H28N2O — CID 67216874

IUPACN-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
SMILESCCC(CC)NC(CC)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H28N2O/c1-6-14(7-2)18-15(8-3)17(20)19-16-12(4)10-9-11-13(16)5/h9-11,14-15,18H,6-8H2,1-5H3,(H,19,20)
InChIKeyXHAHSSWDIZMUCM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.80
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide

N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide (PubChem CID 67216874) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
PubChem CID67216874
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
SMILESCCC(CC)NC(CC)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H28N2O/c1-6-14(7-2)18-15(8-3)17(20)19-16-12(4)10-9-11-13(16)5/h9-11,14-15,18H,6-8H2,1-5H3,(H,19,20)
InChIKeyXHAHSSWDIZMUCM-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
N-(2,6-dimethylphenyl)-4-methyl-2-(methylamino)pentanamide
CID 110838096
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium
CID 158602570
4-amino-N-(2,6-dimethylphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82119337
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide (CID 67216874) is N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide is CCC(CC)NC(CC)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide?
The InChIKey is XHAHSSWDIZMUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-14(7-2)18-15(8-3)17(20)19-16-12(4)10-9-11-13(16)5/h9-11,14-15,18H,6-8H2,1-5H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide?
N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide has a molecular weight of 276.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide is sourced from PubChem (CID 67216874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).