2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C15H22N2O2 — CID 22521561

IUPAC2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCCNC(=O)N1CC(CC)Oc2ccc(C)cc21
InChIInChI=1S/C15H22N2O2/c1-4-8-16-15(18)17-10-12(5-2)19-14-7-6-11(3)9-13(14)17/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyGQIFFSKVKYKXNC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.09
Rot. Bonds3

About 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521561) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521561
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCCNC(=O)N1CC(CC)Oc2ccc(C)cc21
InChIInChI=1S/C15H22N2O2/c1-4-8-16-15(18)17-10-12(5-2)19-14-7-6-11(3)9-13(14)17/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyGQIFFSKVKYKXNC-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 1431999
methyl 3-[(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]propanoate
CID 46272188
1-[(2R)-2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 92703958
2-[6-methyl-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 144994975
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 22521732
N-ethyl-3-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82096950
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 22521712
6-chloro-N-(2,5-difluorophenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521511
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 22521734
1-[6-(3-aminopropyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82340594
(2S)-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682495
N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521575

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521561) is 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCCNC(=O)N1CC(CC)Oc2ccc(C)cc21.
What is the InChIKey of 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is GQIFFSKVKYKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-8-16-15(18)17-10-12(5-2)19-14-7-6-11(3)9-13(14)17/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).