benzene;oxane-2-carboxamide

C12H17NO2 — CID 159532576

IUPACbenzene;oxane-2-carboxamide
SMILESNC(=O)C1CCCCO1.c1ccccc1
InChIInChI=1S/C6H11NO2.C6H6/c7-6(8)5-3-1-2-4-9-5;1-2-4-6-5-3-1/h5H,1-4H2,(H2,7,8);1-6H
InChIKeyMDELMVLIOCTOFS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.73
Rot. Bonds1

About benzene;oxane-2-carboxamide

benzene;oxane-2-carboxamide (PubChem CID 159532576) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is benzene;oxane-2-carboxamide.

Molecular Properties

Compound Namebenzene;oxane-2-carboxamide
PubChem CID159532576
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namebenzene;oxane-2-carboxamide
SMILESNC(=O)C1CCCCO1.c1ccccc1
InChIInChI=1S/C6H11NO2.C6H6/c7-6(8)5-3-1-2-4-9-5;1-2-4-6-5-3-1/h5H,1-4H2,(H2,7,8);1-6H
InChIKeyMDELMVLIOCTOFS-UHFFFAOYSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methylcyclopentane;oxolane-2-carboxamide
CID 143309641
oxane-2-carboxylic acid;phenylmethanamine
CID 134128733
oxolane-2-carboxylic acid;silver
CID 160678639
CID 168919655
CID 168919655
2-phenylethyl oxane-2-carboxylate
CID 151584016
2-chloro-1-(oxan-2-yl)-2-phenylethanone
CID 81236728
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015
2-methoxy-1-(oxan-2-yl)ethanone
CID 115783401
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 79403349
(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide
CID 139039824

Frequently Asked Questions

What is the IUPAC name of benzene;oxane-2-carboxamide?
The IUPAC name of benzene;oxane-2-carboxamide (CID 159532576) is benzene;oxane-2-carboxamide.
What is the SMILES notation for benzene;oxane-2-carboxamide?
The canonical SMILES for benzene;oxane-2-carboxamide is NC(=O)C1CCCCO1.c1ccccc1.
What is the InChIKey of benzene;oxane-2-carboxamide?
The InChIKey is MDELMVLIOCTOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C6H6/c7-6(8)5-3-1-2-4-9-5;1-2-4-6-5-3-1/h5H,1-4H2,(H2,7,8);1-6H.
What are the key properties of benzene;oxane-2-carboxamide?
benzene;oxane-2-carboxamide has a molecular weight of 207.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;oxane-2-carboxamide is sourced from PubChem (CID 159532576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).