N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide

C18H34N2O2 — CID 59942771

IUPACN-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide
SMILESCCC(C)NC(=O)C(C)(C)CC(CC)N1CCCCCC1=O
InChIInChI=1S/C18H34N2O2/c1-6-14(3)19-17(22)18(4,5)13-15(7-2)20-12-10-8-9-11-16(20)21/h14-15H,6-13H2,1-5H3,(H,19,22)
InChIKeyGDMGZDKKPLTBBV-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.50
Rot. Bonds7

About N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide

N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide (PubChem CID 59942771) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide
PubChem CID59942771
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide
SMILESCCC(C)NC(=O)C(C)(C)CC(CC)N1CCCCCC1=O
InChIInChI=1S/C18H34N2O2/c1-6-14(3)19-17(22)18(4,5)13-15(7-2)20-12-10-8-9-11-16(20)21/h14-15H,6-13H2,1-5H3,(H,19,22)
InChIKeyGDMGZDKKPLTBBV-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide
CID 11218678
2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11254190
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
4,4,7-Trimethylazepan-2-one
CID 132327633
(5S)-5-(cyclohexylamino)-1-(3-methylbutyl)azepan-2-one
CID 26348034
5,5,7-Trimethylazepan-2-one
CID 48717
2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide
CID 56643340
2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide
CID 56643348
3-Amino-6,6-dimethylazepan-2-one
CID 18680346
5,5-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590014
6,6-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590107
3-[[2,2-Dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]amino]propyl-trimethylazanium
CID 22955602

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide?
The IUPAC name of N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide (CID 59942771) is N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide.
What is the SMILES notation for N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide?
The canonical SMILES for N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide is CCC(C)NC(=O)C(C)(C)CC(CC)N1CCCCCC1=O.
What is the InChIKey of N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide?
The InChIKey is GDMGZDKKPLTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-14(3)19-17(22)18(4,5)13-15(7-2)20-12-10-8-9-11-16(20)21/h14-15H,6-13H2,1-5H3,(H,19,22).
What are the key properties of N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide?
N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide has a molecular weight of 310.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-dimethyl-4-(2-oxoazepan-1-yl)hexanamide is sourced from PubChem (CID 59942771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).