3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide

C25H29N3O — CID 58277911

IUPAC3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
SMILESCn1ccc2c(CNC(=O)c3ccc4c(c3)CCN(C3CCC3)CC4)cccc21
InChIInChI=1S/C25H29N3O/c1-27-13-12-23-21(4-2-7-24(23)27)17-26-25(29)20-9-8-18-10-14-28(22-5-3-6-22)15-11-19(18)16-20/h2,4,7-9,12-13,16,22H,3,5-6,10-11,14-15,17H2,1H3,(H,26,29)
InChIKeyGONVHSFMNROVMK-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.06
Rot. Bonds4

About 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide

3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide (PubChem CID 58277911) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
PubChem CID58277911
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
SMILESCn1ccc2c(CNC(=O)c3ccc4c(c3)CCN(C3CCC3)CC4)cccc21
InChIInChI=1S/C25H29N3O/c1-27-13-12-23-21(4-2-7-24(23)27)17-26-25(29)20-9-8-18-10-14-28(22-5-3-6-22)15-11-19(18)16-20/h2,4,7-9,12-13,16,22H,3,5-6,10-11,14-15,17H2,1H3,(H,26,29)
InChIKeyGONVHSFMNROVMK-UHFFFAOYSA-N
XLogP4.06
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
The IUPAC name of 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide (CID 58277911) is 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide is Cn1ccc2c(CNC(=O)c3ccc4c(c3)CCN(C3CCC3)CC4)cccc21.
What is the InChIKey of 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
The InChIKey is GONVHSFMNROVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-27-13-12-23-21(4-2-7-24(23)27)17-26-25(29)20-9-8-18-10-14-28(22-5-3-6-22)15-11-19(18)16-20/h2,4,7-9,12-13,16,22H,3,5-6,10-11,14-15,17H2,1H3,(H,26,29).
What are the key properties of 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide?
3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[(1-methylindol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide is sourced from PubChem (CID 58277911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).