N-(2-methoxyphenyl)oxazinane-2-carboxamide

C12H16N2O3 — CID 113415280

IUPACN-(2-methoxyphenyl)oxazinane-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCCO1
InChIInChI=1S/C12H16N2O3/c1-16-11-7-3-2-6-10(11)13-12(15)14-8-4-5-9-17-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,13,15)
InChIKeyXJHNSMQDOLGYNU-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.25
Rot. Bonds2

About N-(2-methoxyphenyl)oxazinane-2-carboxamide

N-(2-methoxyphenyl)oxazinane-2-carboxamide (PubChem CID 113415280) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-methoxyphenyl)oxazinane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)oxazinane-2-carboxamide
PubChem CID113415280
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-methoxyphenyl)oxazinane-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCCO1
InChIInChI=1S/C12H16N2O3/c1-16-11-7-3-2-6-10(11)13-12(15)14-8-4-5-9-17-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,13,15)
InChIKeyXJHNSMQDOLGYNU-UHFFFAOYSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
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methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)oxazinane-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)oxazinane-2-carboxamide (CID 113415280) is N-(2-methoxyphenyl)oxazinane-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)oxazinane-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)oxazinane-2-carboxamide is COc1ccccc1NC(=O)N1CCCCO1.
What is the InChIKey of N-(2-methoxyphenyl)oxazinane-2-carboxamide?
The InChIKey is XJHNSMQDOLGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-11-7-3-2-6-10(11)13-12(15)14-8-4-5-9-17-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,13,15).
What are the key properties of N-(2-methoxyphenyl)oxazinane-2-carboxamide?
N-(2-methoxyphenyl)oxazinane-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)oxazinane-2-carboxamide is sourced from PubChem (CID 113415280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).