(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C21H28N2O2 — CID 92682539

IUPAC(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2O1
InChIInChI=1S/C21H28N2O2/c1-2-17-13-23(18-5-3-4-6-19(18)25-17)20(24)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-17H,2,7-13H2,1H3,(H,22,24)/t14?,15?,16?,17-,21?/m1/s1
InChIKeyOODKFGPGKXXQOZ-JRQWYPPZSA-N
MW340.47 g/mol
LogP4.34
Rot. Bonds2

About (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 92682539) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID92682539
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2O1
InChIInChI=1S/C21H28N2O2/c1-2-17-13-23(18-5-3-4-6-19(18)25-17)20(24)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-17H,2,7-13H2,1H3,(H,22,24)/t14?,15?,16?,17-,21?/m1/s1
InChIKeyOODKFGPGKXXQOZ-JRQWYPPZSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]propanoate
CID 46272188
(2S)-N-(1-adamantyl)-6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682505
N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521575
N-(1-adamantyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 43816327
1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide
CID 22521662
N-(1-adamantyl)phenothiazine-10-carboxamide
CID 3253193
(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 136561116
2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521561
(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 1431999
N-[[4-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]methyl]prop-2-enamide
CID 154861927
(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 122137421
[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methanone
CID 124589824

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 92682539) is (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC[C@@H]1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2O1.
What is the InChIKey of (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is OODKFGPGKXXQOZ-JRQWYPPZSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-17-13-23(18-5-3-4-6-19(18)25-17)20(24)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-17H,2,7-13H2,1H3,(H,22,24)/t14?,15?,16?,17-,21?/m1/s1.
What are the key properties of (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 92682539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).