N-cyclopropyl-1,4-oxazepane-4-carboxamide

C9H16N2O2 — CID 115597922

IUPACN-cyclopropyl-1,4-oxazepane-4-carboxamide
SMILESO=C(NC1CC1)N1CCCOCC1
InChIInChI=1S/C9H16N2O2/c12-9(10-8-2-3-8)11-4-1-6-13-7-5-11/h8H,1-7H2,(H,10,12)
InChIKeyIIRIUPIZPPILHL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds1

About N-cyclopropyl-1,4-oxazepane-4-carboxamide

N-cyclopropyl-1,4-oxazepane-4-carboxamide (PubChem CID 115597922) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-cyclopropyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,4-oxazepane-4-carboxamide
PubChem CID115597922
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-cyclopropyl-1,4-oxazepane-4-carboxamide
SMILESO=C(NC1CC1)N1CCCOCC1
InChIInChI=1S/C9H16N2O2/c12-9(10-8-2-3-8)11-4-1-6-13-7-5-11/h8H,1-7H2,(H,10,12)
InChIKeyIIRIUPIZPPILHL-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide
CID 146087642
N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
CID 53255683
N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide
CID 128909370
N-cyclopent-3-en-1-ylmorpholine-4-carboxamide
CID 115695442
N-(thian-3-yl)morpholine-4-carboxamide
CID 115675063
N-[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]morpholine-4-carboxamide
CID 126821611
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-cyclopropyl-1,4-oxazepane-4-carboxamide (CID 115597922) is N-cyclopropyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1,4-oxazepane-4-carboxamide is O=C(NC1CC1)N1CCCOCC1.
What is the InChIKey of N-cyclopropyl-1,4-oxazepane-4-carboxamide?
The InChIKey is IIRIUPIZPPILHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(10-8-2-3-8)11-4-1-6-13-7-5-11/h8H,1-7H2,(H,10,12).
What are the key properties of N-cyclopropyl-1,4-oxazepane-4-carboxamide?
N-cyclopropyl-1,4-oxazepane-4-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 115597922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).