(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide

C14H26N2O2 — CID 11379810

IUPAC(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C14H26N2O2/c1-3-5-8-11(4-2)13(17)16-12-9-6-7-10-15-14(12)18/h11-12H,3-10H2,1-2H3,(H,15,18)(H,16,17)/t11-,12+/m1/s1
InChIKeyBVPZBJSTJLMDRF-NEPJUHHUSA-N
MW254.37 g/mol
LogP1.99
Rot. Bonds6

About (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide

(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide (PubChem CID 11379810) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
PubChem CID11379810
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C14H26N2O2/c1-3-5-8-11(4-2)13(17)16-12-9-6-7-10-15-14(12)18/h11-12H,3-10H2,1-2H3,(H,15,18)(H,16,17)/t11-,12+/m1/s1
InChIKeyBVPZBJSTJLMDRF-NEPJUHHUSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
CID 107471324
N-cyclopentyl-2-ethylhexanamide
CID 4146053
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
N-cyclooctyl-2-ethylhexanamide
CID 3989939
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 94646376
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
1-decyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 11392789
(E,2R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]dec-6-enamide
CID 58765109
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
3-(undecan-6-ylamino)azepan-2-one
CID 43782053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
The IUPAC name of (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide (CID 11379810) is (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide is CCCC[C@@H](CC)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
The InChIKey is BVPZBJSTJLMDRF-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-5-8-11(4-2)13(17)16-12-9-6-7-10-15-14(12)18/h11-12H,3-10H2,1-2H3,(H,15,18)(H,16,17)/t11-,12+/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide has a molecular weight of 254.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide is sourced from PubChem (CID 11379810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).