5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C26H27N3O2 — CID 102082728

IUPAC5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC1CCCN(C(=O)NCCc2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H27N3O2/c30-25(21-12-5-2-6-13-21)28-23-15-9-19-29(24-16-8-7-14-22(23)24)26(31)27-18-17-20-10-3-1-4-11-20/h1-8,10-14,16,23H,9,15,17-19H2,(H,27,31)(H,28,30)
InChIKeyPZGMTWIGHVPLDH-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.71
Rot. Bonds5

About 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 102082728) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID102082728
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC1CCCN(C(=O)NCCc2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H27N3O2/c30-25(21-12-5-2-6-13-21)28-23-15-9-19-29(24-16-8-7-14-22(23)24)26(31)27-18-17-20-10-3-1-4-11-20/h1-8,10-14,16,23H,9,15,17-19H2,(H,27,31)(H,28,30)
InChIKeyPZGMTWIGHVPLDH-UHFFFAOYSA-N
XLogP4.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 102082728) is 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NC1CCCN(C(=O)NCCc2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is PZGMTWIGHVPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-25(21-12-5-2-6-13-21)28-23-15-9-19-29(24-16-8-7-14-22(23)24)26(31)27-18-17-20-10-3-1-4-11-20/h1-8,10-14,16,23H,9,15,17-19H2,(H,27,31)(H,28,30).
What are the key properties of 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 102082728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).