N-(1-hydroxypropan-2-yl)azepane-1-carboxamide

C10H20N2O2 — CID 112729482

IUPACN-(1-hydroxypropan-2-yl)azepane-1-carboxamide
SMILESCC(CO)NC(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O2/c1-9(8-13)11-10(14)12-6-4-2-3-5-7-12/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyAHGJJMUJTXDXBO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.95
Rot. Bonds2

About N-(1-hydroxypropan-2-yl)azepane-1-carboxamide

N-(1-hydroxypropan-2-yl)azepane-1-carboxamide (PubChem CID 112729482) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)azepane-1-carboxamide
PubChem CID112729482
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(1-hydroxypropan-2-yl)azepane-1-carboxamide
SMILESCC(CO)NC(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O2/c1-9(8-13)11-10(14)12-6-4-2-3-5-7-12/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyAHGJJMUJTXDXBO-UHFFFAOYSA-N
XLogP0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-pent-4-yn-2-ylazepane-1-carboxamide
CID 115667497
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
N-[1-(dimethylamino)propan-2-yl]piperidine-1-carboxamide
CID 116657221
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-(1-methylsulfonylpropan-2-yl)piperidine-1-carboxamide
CID 115626185
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)azepane-1-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)azepane-1-carboxamide (CID 112729482) is N-(1-hydroxypropan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)azepane-1-carboxamide is CC(CO)NC(=O)N1CCCCCC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)azepane-1-carboxamide?
The InChIKey is AHGJJMUJTXDXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(8-13)11-10(14)12-6-4-2-3-5-7-12/h9,13H,2-8H2,1H3,(H,11,14).
What are the key properties of N-(1-hydroxypropan-2-yl)azepane-1-carboxamide?
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 112729482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).