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

C14H18N2O2 — CID 43298737

IUPACN-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NCC1CCC1)C1CNc2ccccc2O1
InChIInChI=1S/C14H18N2O2/c17-14(16-8-10-4-3-5-10)13-9-15-11-6-1-2-7-12(11)18-13/h1-2,6-7,10,13,15H,3-5,8-9H2,(H,16,17)
InChIKeyYPFGUBKXOZEMGE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.78
Rot. Bonds3

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

N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 43298737) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID43298737
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NCC1CCC1)C1CNc2ccccc2O1
InChIInChI=1S/C14H18N2O2/c17-14(16-8-10-4-3-5-10)13-9-15-11-6-1-2-7-12(11)18-13/h1-2,6-7,10,13,15H,3-5,8-9H2,(H,16,17)
InChIKeyYPFGUBKXOZEMGE-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyloxy-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 83235668
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24706737
tert-butyl 2-[[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 67626027
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43173377
N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106147903
cyclopentyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 61279622
N-[(1-methylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106416776
N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 63823743
N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61460848
N-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43123311

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 43298737) is N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(NCC1CCC1)C1CNc2ccccc2O1.
What is the InChIKey of N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is YPFGUBKXOZEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(16-8-10-4-3-5-10)13-9-15-11-6-1-2-7-12(11)18-13/h1-2,6-7,10,13,15H,3-5,8-9H2,(H,16,17).
What are the key properties of N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 43298737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).