N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C16H16N2O2 — CID 6625603

IUPACN-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCOc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-16(17-12-13-6-2-1-3-7-13)18-10-11-20-15-9-5-4-8-14(15)18/h1-9H,10-12H2,(H,17,19)
InChIKeyPWHCZZLDJCYKRS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.80
Rot. Bonds2

About N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 6625603) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID6625603
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCOc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-16(17-12-13-6-2-1-3-7-13)18-10-11-20-15-9-5-4-8-14(15)18/h1-9H,10-12H2,(H,17,19)
InChIKeyPWHCZZLDJCYKRS-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-(trifluoromethyl)-2-(pyrrolidin-1-yl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476471
1-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476472
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476470
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
Psb-12054
CID 60168729
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
2-Methoxyfentanyl
CID 12741853
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014776

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 6625603) is N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is O=C(NCc1ccccc1)N1CCOc2ccccc21.
What is the InChIKey of N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is PWHCZZLDJCYKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(17-12-13-6-2-1-3-7-13)18-10-11-20-15-9-5-4-8-14(15)18/h1-9H,10-12H2,(H,17,19).
What are the key properties of N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 6625603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).