N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide

C16H21N3O3 — CID 167903240

IUPACN-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide
SMILESCNC1CCC(NC(=O)c2ccc3c(c2)COC(=O)N3)CC1
InChIInChI=1S/C16H21N3O3/c1-17-12-3-5-13(6-4-12)18-15(20)10-2-7-14-11(8-10)9-22-16(21)19-14/h2,7-8,12-13,17H,3-6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyTWGFGPWJGNZITB-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.01
Rot. Bonds3

About N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide

N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide (PubChem CID 167903240) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide
PubChem CID167903240
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide
SMILESCNC1CCC(NC(=O)c2ccc3c(c2)COC(=O)N3)CC1
InChIInChI=1S/C16H21N3O3/c1-17-12-3-5-13(6-4-12)18-15(20)10-2-7-14-11(8-10)9-22-16(21)19-14/h2,7-8,12-13,17H,3-6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyTWGFGPWJGNZITB-UHFFFAOYSA-N
XLogP2.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103605870
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
N-[4-(4-tert-butylphenyl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 154868761
N-(3-methylcyclobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103720343
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2-methylidene-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 126607254
N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide
CID 149312118
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
CID 103708614

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide (CID 167903240) is N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide is CNC1CCC(NC(=O)c2ccc3c(c2)COC(=O)N3)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide?
The InChIKey is TWGFGPWJGNZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-17-12-3-5-13(6-4-12)18-15(20)10-2-7-14-11(8-10)9-22-16(21)19-14/h2,7-8,12-13,17H,3-6,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide?
N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-2-oxo-1,4-dihydro-3,1-benzoxazine-6-carboxamide is sourced from PubChem (CID 167903240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).