N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide

C13H22N2O2 — CID 128909370

IUPACN-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1C1CCC1)N1CCCOCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-5-2-7-17-8-6-15)14-12-9-11(12)10-3-1-4-10/h10-12H,1-9H2,(H,14,16)/t11-,12+/m0/s1
InChIKeyGVCNEFXSSMPSDP-NWDGAFQWSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds2

About N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide

N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide (PubChem CID 128909370) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide
PubChem CID128909370
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1C1CCC1)N1CCCOCC1
InChIInChI=1S/C13H22N2O2/c16-13(15-5-2-7-17-8-6-15)14-12-9-11(12)10-3-1-4-10/h10-12H,1-9H2,(H,14,16)/t11-,12+/m0/s1
InChIKeyGVCNEFXSSMPSDP-NWDGAFQWSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012285
N'-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]morpholine-4-carbohydrazide
CID 99811031
N-[2-(hydroxymethyl)cyclohexyl]morpholine-4-carboxamide
CID 103721884
2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 102627668
N-[(2R,3R)-2-cyclopropyl-6-oxopiperidin-3-yl]morpholine-4-carboxamide
CID 129349017
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide
CID 146087642
N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1-carboxamide
CID 115641993
N-(2-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126999523
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide (CID 128909370) is N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide is O=C(N[C@@H]1C[C@H]1C1CCC1)N1CCCOCC1.
What is the InChIKey of N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide?
The InChIKey is GVCNEFXSSMPSDP-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(15-5-2-7-17-8-6-15)14-12-9-11(12)10-3-1-4-10/h10-12H,1-9H2,(H,14,16)/t11-,12+/m0/s1.
What are the key properties of N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide?
N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 128909370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).