N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C12H16N2O3 — CID 53016747

IUPACN-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOCCNC(=O)N1CCOc2ccccc21
InChIInChI=1S/C12H16N2O3/c1-16-8-6-13-12(15)14-7-9-17-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKeyTTZSRUFKJNWXEU-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.24
Rot. Bonds3

About N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 53016747) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID53016747
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOCCNC(=O)N1CCOc2ccccc21
InChIInChI=1S/C12H16N2O3/c1-16-8-6-13-12(15)14-7-9-17-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKeyTTZSRUFKJNWXEU-UHFFFAOYSA-N
XLogP1.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 15425916
2-chloro-4-[[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 56563066
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 20947629
4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
CID 163276565
1-(2,3-dihydro-1,4-benzoxazin-4-yl)but-2-en-1-one
CID 112727331
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 56782570
N-[[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]methyl]acetamide
CID 43071892
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
4-chloro-N-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutyl]benzamide
CID 32611678

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 53016747) is N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COCCNC(=O)N1CCOc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is TTZSRUFKJNWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-8-6-13-12(15)14-7-9-17-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 53016747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).