N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C17H23N3O3 — CID 119612531

IUPACN-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NC2CCCCC2CN)NC1=O
InChIInChI=1S/C17H23N3O3/c1-10-16(21)20-14-8-4-6-12(15(14)23-10)17(22)19-13-7-3-2-5-11(13)9-18/h4,6,8,10-11,13H,2-3,5,7,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeySEPNLNOTKMXHLB-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.65
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 119612531) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID119612531
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)NC2CCCCC2CN)NC1=O
InChIInChI=1S/C17H23N3O3/c1-10-16(21)20-14-8-4-6-12(15(14)23-10)17(22)19-13-7-3-2-5-11(13)9-18/h4,6,8,10-11,13H,2-3,5,7,9,18H2,1H3,(H,19,22)(H,20,21)
InChIKeySEPNLNOTKMXHLB-UHFFFAOYSA-N
XLogP1.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide with MolForge

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119568491
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 119997128
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
8-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one;hydrochloride
CID 119487285
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119612413
N-[1-(2,6-dichlorophenyl)cyclopropyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 139006513
2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid
CID 119135794
N-(3,4-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701895
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 124594018

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 119612531) is N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC1Oc2c(cccc2C(=O)NC2CCCCC2CN)NC1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is SEPNLNOTKMXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-16(21)20-14-8-4-6-12(15(14)23-10)17(22)19-13-7-3-2-5-11(13)9-18/h4,6,8,10-11,13H,2-3,5,7,9,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 119612531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).