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

C17H18N2O2 — CID 24690489

IUPACN-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C17H18N2O2/c1-19(12-13-7-3-2-4-8-13)17(20)16-11-18-14-9-5-6-10-15(14)21-16/h2-10,16,18H,11-12H2,1H3
InChIKeyBNXPQJWYUWBFDV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.52
Rot. Bonds3

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

N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 24690489) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID24690489
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C17H18N2O2/c1-19(12-13-7-3-2-4-8-13)17(20)16-11-18-14-9-5-6-10-15(14)21-16/h2-10,16,18H,11-12H2,1H3
InChIKeyBNXPQJWYUWBFDV-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl(methyl)amino]acetic acid
CID 61158959
N-(3-amino-3-oxopropyl)-N-benzyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 113224406
N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 63207842
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61435902
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-4-phenylbutan-1-one
CID 116550220
N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 112659382
N-(3,3-dimethylbutan-2-yl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60940120
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
N-methyl-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 115985787
N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43401469
N-(2-amino-2-oxoethyl)-N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60946313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 24690489) is N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CN(Cc1ccccc1)C(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is BNXPQJWYUWBFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19(12-13-7-3-2-4-8-13)17(20)16-11-18-14-9-5-6-10-15(14)21-16/h2-10,16,18H,11-12H2,1H3.
What are the key properties of N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 24690489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).