2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide

C12H22N2O2 — CID 11322108

IUPAC2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
SMILESCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C12H22N2O2/c1-4-12(2,3)11(16)14-9-7-5-6-8-13-10(9)15/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyMULJKMXGNNWTOH-VIFPVBQESA-N
MW226.32 g/mol
LogP1.21
Rot. Bonds3

About 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide

2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide (PubChem CID 11322108) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
PubChem CID11322108
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
SMILESCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C12H22N2O2/c1-4-12(2,3)11(16)14-9-7-5-6-8-13-10(9)15/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyMULJKMXGNNWTOH-VIFPVBQESA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
3-amino-2,2-dimethyl-N-(2-oxopiperidin-3-yl)propanamide;hydrochloride
CID 119756732
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
3-amino-2,2,3-trimethyl-N-(2-oxopiperidin-3-yl)butanamide
CID 65266745
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]azepan-2-one
CID 107865414
2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide
CID 122206979
1,1-difluoro-2-oxo-2-[(2-oxoazepan-3-yl)amino]ethanesulfonic acid
CID 88586538
ethyl 2-oxo-2-[[(3R)-2-oxoazepan-3-yl]amino]acetate
CID 7004152
3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one
CID 43416486
3-[(2-ethyl-2-hydroxybutyl)amino]azepan-2-one
CID 65111880

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide (CID 11322108) is 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide is CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide?
The InChIKey is MULJKMXGNNWTOH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-12(2,3)11(16)14-9-7-5-6-8-13-10(9)15/h9H,4-8H2,1-3H3,(H,13,15)(H,14,16)/t9-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide?
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide has a molecular weight of 226.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide is sourced from PubChem (CID 11322108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).