N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide

C13H26N2O2 — CID 106188267

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1CCCCCN1
InChIInChI=1S/C13H26N2O2/c1-12(2,13(3,4)17)15-11(16)10-8-6-5-7-9-14-10/h10,14,17H,5-9H2,1-4H3,(H,15,16)
InChIKeyALJHDLHZMZQGGP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.18
Rot. Bonds3

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide (PubChem CID 106188267) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
PubChem CID106188267
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1CCCCCN1
InChIInChI=1S/C13H26N2O2/c1-12(2,13(3,4)17)15-11(16)10-8-6-5-7-9-14-10/h10,14,17H,5-9H2,1-4H3,(H,15,16)
InChIKeyALJHDLHZMZQGGP-UHFFFAOYSA-N
XLogP1.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-3-yl)piperidine-2-carboxamide
CID 65039048
methyl 2-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoate
CID 93268446
azepane-2-carbohydrazide
CID 64570757
4-(azepane-2-carbonylamino)-4-methylpentanoic acid
CID 64568351
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-2-carboxamide
CID 107852747
2-(azepane-2-carbonylamino)-2-ethylbutanoic acid
CID 79804530
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
2-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61159683
(2R)-N-(3-hydroxy-2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 104901499
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106188161
N-cyclopentylazepane-2-carboxamide
CID 64564743
2-phenyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913849

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide (CID 106188267) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide is CC(C)(O)C(C)(C)NC(=O)C1CCCCCN1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide?
The InChIKey is ALJHDLHZMZQGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,13(3,4)17)15-11(16)10-8-6-5-7-9-14-10/h10,14,17H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide is sourced from PubChem (CID 106188267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).