(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide

C14H21N2O3+ — CID 6955029

IUPAC(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide
SMILESCNC(=O)[C@@H]1[NH2+]CCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H20N2O3/c1-15-14(17)13-10-8-12(19-3)11(18-2)7-9(10)5-4-6-16-13/h7-8,13,16H,4-6H2,1-3H3,(H,15,17)/p+1/t13-/m1/s1
InChIKeyJONACWULUYSNMD-CYBMUJFWSA-O
MW265.33 g/mol
LogP0.00
Rot. Bonds3

About (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide

(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide (PubChem CID 6955029) has the molecular formula C14H21N2O3+ and a molecular weight of 265.33 g/mol. Its IUPAC name is (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide.

Molecular Properties

Compound Name(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide
PubChem CID6955029
Molecular FormulaC14H21N2O3+
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide
SMILESCNC(=O)[C@@H]1[NH2+]CCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H20N2O3/c1-15-14(17)13-10-8-12(19-3)11(18-2)7-9(10)5-4-6-16-13/h7-8,13,16H,4-6H2,1-3H3,(H,15,17)/p+1/t13-/m1/s1
InChIKeyJONACWULUYSNMD-CYBMUJFWSA-O
XLogP0.00
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide with MolForge

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Related Compounds

(1S)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxamide
CID 928677
3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45101397
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
(1S)-1-[(1S)-2-carbonochloridoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
CID 101224182
5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159610
6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 78454606
2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 67800169
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
1,3-bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-one
CID 54506652
(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl chloride
CID 88889516
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 3130309

Frequently Asked Questions

What is the IUPAC name of (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide?
The IUPAC name of (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide (CID 6955029) is (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide.
What is the SMILES notation for (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide?
The canonical SMILES for (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide is CNC(=O)[C@@H]1[NH2+]CCCc2cc(OC)c(OC)cc21.
What is the InChIKey of (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide?
The InChIKey is JONACWULUYSNMD-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H20N2O3/c1-15-14(17)13-10-8-12(19-3)11(18-2)7-9(10)5-4-6-16-13/h7-8,13,16H,4-6H2,1-3H3,(H,15,17)/p+1/t13-/m1/s1.
What are the key properties of (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide?
(1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7,8-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium-1-carboxamide is sourced from PubChem (CID 6955029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).