N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide

C14H22N2O — CID 54924858

IUPACN-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)15-9-8-13(17)16-14-11(3)6-5-7-12(14)4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyRKJUROHHLHUERV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide

N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 54924858) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID54924858
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)15-9-8-13(17)16-14-11(3)6-5-7-12(14)4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyRKJUROHHLHUERV-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide
CID 70385267
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide (CID 54924858) is N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide is Cc1cccc(C)c1NC(=O)CCNC(C)C.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is RKJUROHHLHUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)15-9-8-13(17)16-14-11(3)6-5-7-12(14)4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide?
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54924858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).