N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide

C13H18N2O — CID 58147184

IUPACN,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
SMILESCNC(=O)c1ccc2c(c1)CN(C)CCC2
InChIInChI=1S/C13H18N2O/c1-14-13(16)11-6-5-10-4-3-7-15(2)9-12(10)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,16)
InChIKeyPBQZIVOBKIMAMT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds1

About N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide

N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide (PubChem CID 58147184) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
PubChem CID58147184
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
SMILESCNC(=O)c1ccc2c(c1)CN(C)CCC2
InChIInChI=1S/C13H18N2O/c1-14-13(16)11-6-5-10-4-3-7-15(2)9-12(10)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,16)
InChIKeyPBQZIVOBKIMAMT-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 7-(methylcarbamoyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 131866233
2,6-dimethyl-3,4-dihydro-1H-isoquinoline;N-methylnaphthalene-2-carboxamide
CID 178169008
N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide
CID 178014437
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
2-methyl-N-(1-methylcyclopropyl)sulfanyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 142338575
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid
CID 67108071
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
CID 122439160
2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 143924095
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66898299
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
The IUPAC name of N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide (CID 58147184) is N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide.
What is the SMILES notation for N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
The canonical SMILES for N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide is CNC(=O)c1ccc2c(c1)CN(C)CCC2.
What is the InChIKey of N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
The InChIKey is PBQZIVOBKIMAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-13(16)11-6-5-10-4-3-7-15(2)9-12(10)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,16).
What are the key properties of N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide?
N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide is sourced from PubChem (CID 58147184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).