N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide

C16H24N2O2 — CID 18155095

IUPACN-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCc1cccc(C)c1NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11-7-6-8-12(2)14(11)18-13(19)9-10-17-15(20)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyBHMSXETYQRTQNP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds4

About N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 18155095) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID18155095
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCc1cccc(C)c1NC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11-7-6-8-12(2)14(11)18-13(19)9-10-17-15(20)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyBHMSXETYQRTQNP-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
CID 32688592
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
CID 43358371
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 18155095) is N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide is Cc1cccc(C)c1NC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is BHMSXETYQRTQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-6-8-12(2)14(11)18-13(19)9-10-17-15(20)16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18155095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).