N'-(2,6-dimethylphenyl)-N-propylbutanediamide

C15H22N2O2 — CID 71979821

IUPACN'-(2,6-dimethylphenyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H22N2O2/c1-4-10-16-13(18)8-9-14(19)17-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyOVUAEICVMOZSKG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds6

About N'-(2,6-dimethylphenyl)-N-propylbutanediamide

N'-(2,6-dimethylphenyl)-N-propylbutanediamide (PubChem CID 71979821) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-propylbutanediamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-propylbutanediamide
PubChem CID71979821
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-(2,6-dimethylphenyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H22N2O2/c1-4-10-16-13(18)8-9-14(19)17-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyOVUAEICVMOZSKG-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 27718932
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-propylbutanediamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-propylbutanediamide (CID 71979821) is N'-(2,6-dimethylphenyl)-N-propylbutanediamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-propylbutanediamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-propylbutanediamide is CCCNC(=O)CCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-propylbutanediamide?
The InChIKey is OVUAEICVMOZSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10-16-13(18)8-9-14(19)17-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,6-dimethylphenyl)-N-propylbutanediamide?
N'-(2,6-dimethylphenyl)-N-propylbutanediamide has a molecular weight of 262.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-propylbutanediamide is sourced from PubChem (CID 71979821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).