N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide

C17H34N2O2 — CID 146233535

IUPACN-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CCC(C)(C)NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-12(18-13(20)15(2,3)4)10-11-17(8,9)19-14(21)16(5,6)7/h12H,10-11H2,1-9H3,(H,18,20)(H,19,21)
InChIKeyKOCYJFNVPYCKDA-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.26
Rot. Bonds5

About N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide

N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide (PubChem CID 146233535) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide
PubChem CID146233535
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CCC(C)(C)NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-12(18-13(20)15(2,3)4)10-11-17(8,9)19-14(21)16(5,6)7/h12H,10-11H2,1-9H3,(H,18,20)(H,19,21)
InChIKeyKOCYJFNVPYCKDA-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
N-(4-chlorobutan-2-yl)-2,2-dimethylpropanamide
CID 83178433
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
CID 170029722
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
(2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutane-1-sulfonic acid
CID 10562712
N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide
CID 19187679
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 115734890
4-O-[2-(2,2-dimethylpropanoylamino)propyl] 1-O-methyl (E)-but-2-enedioate
CID 126492262
2,2-dimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)propanamide
CID 166894562

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide (CID 146233535) is N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide is CC(CCC(C)(C)NC(=O)C(C)(C)C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KOCYJFNVPYCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-12(18-13(20)15(2,3)4)10-11-17(8,9)19-14(21)16(5,6)7/h12H,10-11H2,1-9H3,(H,18,20)(H,19,21).
What are the key properties of N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide?
N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 298.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146233535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).