2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide

C15H28N2O2 — CID 11254190

IUPAC2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
SMILESCC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H28N2O2/c1-11(2)8-9-15(3,4)14(19)17-12-7-5-6-10-16-13(12)18/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyJTDHTPHSOYHSQH-LBPRGKRZSA-N
MW268.40 g/mol
LogP2.23
Rot. Bonds5

About 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide

2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide (PubChem CID 11254190) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide.

Molecular Properties

Compound Name2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
PubChem CID11254190
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
SMILESCC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C15H28N2O2/c1-11(2)8-9-15(3,4)14(19)17-12-7-5-6-10-16-13(12)18/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyJTDHTPHSOYHSQH-LBPRGKRZSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
The IUPAC name of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide (CID 11254190) is 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide.
What is the SMILES notation for 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
The canonical SMILES for 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide is CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
The InChIKey is JTDHTPHSOYHSQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)8-9-15(3,4)14(19)17-12-7-5-6-10-16-13(12)18/h11-12H,5-10H2,1-4H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide?
2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide has a molecular weight of 268.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide is sourced from PubChem (CID 11254190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).