(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C19H22N2O2 — CID 1431999

IUPAC(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2ccc(C)cc2)c2cc(C)ccc2O1
InChIInChI=1S/C19H22N2O2/c1-4-16-12-21(17-11-14(3)7-10-18(17)23-16)19(22)20-15-8-5-13(2)6-9-15/h5-11,16H,4,12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyNYLHMPRJAHCONY-INIZCTEOSA-N
MW310.40 g/mol
LogP4.51
Rot. Bonds2

About (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 1431999) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID1431999
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2ccc(C)cc2)c2cc(C)ccc2O1
InChIInChI=1S/C19H22N2O2/c1-4-16-12-21(17-11-14(3)7-10-18(17)23-16)19(22)20-15-8-5-13(2)6-9-15/h5-11,16H,4,12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyNYLHMPRJAHCONY-INIZCTEOSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-methyl-N-propyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521561
N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521575
N-(3-chloro-4-fluorophenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521581
(2S)-2-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682537
6-chloro-N-(2,5-difluorophenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521511
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
1-[5-[2-ethyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 58577850
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 22521734
(2S)-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682495
(2S)-6-chloro-N-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92701420
N-ethyl-3-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82096950
6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 1431999) is (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC[C@H]1CN(C(=O)Nc2ccc(C)cc2)c2cc(C)ccc2O1.
What is the InChIKey of (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is NYLHMPRJAHCONY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-16-12-21(17-11-14(3)7-10-18(17)23-16)19(22)20-15-8-5-13(2)6-9-15/h5-11,16H,4,12H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
(2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-6-methyl-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 1431999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).