N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide

C17H22N2O2 — CID 50965687

IUPACN-ethylspiro[azepane-4,2'-chromene]-1-carboxamide
SMILESCCNC(=O)N1CCCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-18-16(20)19-12-5-9-17(11-13-19)10-8-14-6-3-4-7-15(14)21-17/h3-4,6-8,10H,2,5,9,11-13H2,1H3,(H,18,20)
InChIKeyWDDSANFNHQKITG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.05
Rot. Bonds1

About N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide

N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide (PubChem CID 50965687) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide.

Molecular Properties

Compound NameN-ethylspiro[azepane-4,2'-chromene]-1-carboxamide
PubChem CID50965687
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-ethylspiro[azepane-4,2'-chromene]-1-carboxamide
SMILESCCNC(=O)N1CCCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-18-16(20)19-12-5-9-17(11-13-19)10-8-14-6-3-4-7-15(14)21-17/h3-4,6-8,10H,2,5,9,11-13H2,1H3,(H,18,20)
InChIKeyWDDSANFNHQKITG-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
CID 95122993
(3,5-dihydroxy-4-methylphenyl)-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125753
3-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-pyridin-2-one
CID 95127743
[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95147443
2-(spiro[azepane-4,2'-chromene]-1-carbonyl)benzonitrile
CID 50964126
(2-methoxypyrimidin-5-yl)-[(4S)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125230
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]spiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 138033575
spiro[azepane-4,2'-chromene]-1-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 50960991
2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one
CID 95228152
2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
isoquinolin-5-yl(spiro[azepane-4,2'-chromene]-1-yl)methanone
CID 50959341
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414

Frequently Asked Questions

What is the IUPAC name of N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide?
The IUPAC name of N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide (CID 50965687) is N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide.
What is the SMILES notation for N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide?
The canonical SMILES for N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide is CCNC(=O)N1CCCC2(C=Cc3ccccc3O2)CC1.
What is the InChIKey of N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide?
The InChIKey is WDDSANFNHQKITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-18-16(20)19-12-5-9-17(11-13-19)10-8-14-6-3-4-7-15(14)21-17/h3-4,6-8,10H,2,5,9,11-13H2,1H3,(H,18,20).
What are the key properties of N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide?
N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide is sourced from PubChem (CID 50965687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).