7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide

C14H21N3O — CID 173201848

IUPAC7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide
SMILESCN(C)C1=CC2=CC(C(N)=O)N(C)CCC2=CC1
InChIInChI=1S/C14H21N3O/c1-16(2)12-5-4-10-6-7-17(3)13(14(15)18)9-11(10)8-12/h4,8-9,13H,5-7H2,1-3H3,(H2,15,18)
InChIKeyKBPNQINEHLDFKU-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.88
Rot. Bonds2

About 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide

7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide (PubChem CID 173201848) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide.

Molecular Properties

Compound Name7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide
PubChem CID173201848
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide
SMILESCN(C)C1=CC2=CC(C(N)=O)N(C)CCC2=CC1
InChIInChI=1S/C14H21N3O/c1-16(2)12-5-4-10-6-7-17(3)13(14(15)18)9-11(10)8-12/h4,8-9,13H,5-7H2,1-3H3,(H2,15,18)
InChIKeyKBPNQINEHLDFKU-UHFFFAOYSA-N
XLogP0.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide?
The IUPAC name of 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide (CID 173201848) is 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide.
What is the SMILES notation for 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide?
The canonical SMILES for 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide is CN(C)C1=CC2=CC(C(N)=O)N(C)CCC2=CC1.
What is the InChIKey of 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide?
The InChIKey is KBPNQINEHLDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)12-5-4-10-6-7-17(3)13(14(15)18)9-11(10)8-12/h4,8-9,13H,5-7H2,1-3H3,(H2,15,18).
What are the key properties of 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide?
7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-methyl-1,2,4,8-tetrahydro-3-benzazepine-4-carboxamide is sourced from PubChem (CID 173201848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).