ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide

C24H31N3O — CID 142830962

IUPACethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide
SMILESCC.CC.Cc1cc2cc(NC(=O)C3=Cc4ccccc4CCN3)ccc2[nH]1
InChIInChI=1S/C20H19N3O.2C2H6/c1-13-10-16-11-17(6-7-18(16)22-13)23-20(24)19-12-15-5-3-2-4-14(15)8-9-21-19;2*1-2/h2-7,10-12,21-22H,8-9H2,1H3,(H,23,24);2*1-2H3
InChIKeyONIBRYXCFAYTPF-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.65
Rot. Bonds2

About ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide

ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide (PubChem CID 142830962) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide
PubChem CID142830962
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Nameethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide
SMILESCC.CC.Cc1cc2cc(NC(=O)C3=Cc4ccccc4CCN3)ccc2[nH]1
InChIInChI=1S/C20H19N3O.2C2H6/c1-13-10-16-11-17(6-7-18(16)22-13)23-20(24)19-12-15-5-3-2-4-14(15)8-9-21-19;2*1-2/h2-7,10-12,21-22H,8-9H2,1H3,(H,23,24);2*1-2H3
InChIKeyONIBRYXCFAYTPF-UHFFFAOYSA-N
XLogP5.65
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide?
The IUPAC name of ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide (CID 142830962) is ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide.
What is the SMILES notation for ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide?
The canonical SMILES for ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide is CC.CC.Cc1cc2cc(NC(=O)C3=Cc4ccccc4CCN3)ccc2[nH]1.
What is the InChIKey of ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide?
The InChIKey is ONIBRYXCFAYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O.2C2H6/c1-13-10-16-11-17(6-7-18(16)22-13)23-20(24)19-12-15-5-3-2-4-14(15)8-9-21-19;2*1-2/h2-7,10-12,21-22H,8-9H2,1H3,(H,23,24);2*1-2H3.
What are the key properties of ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide?
ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 5.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methyl-1H-indol-5-yl)-2,3-dihydro-1H-3-benzazepine-4-carboxamide is sourced from PubChem (CID 142830962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).