N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

C25H25N3O2 — CID 10692311

IUPACN-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-2-3-8-20(17)24(29)27-19-14-12-18(13-15-19)25(30)28-16-6-10-22(26)21-9-4-5-11-23(21)28/h2-5,7-9,11-15,22H,6,10,16,26H2,1H3,(H,27,29)
InChIKeyRXXUUOXLWJGPNY-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.69
Rot. Bonds3

About N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide

N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 10692311) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID10692311
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-17-7-2-3-8-20(17)24(29)27-19-14-12-18(13-15-19)25(30)28-16-6-10-22(26)21-9-4-5-11-23(21)28/h2-5,7-9,11-15,22H,6,10,16,26H2,1H3,(H,27,29)
InChIKeyRXXUUOXLWJGPNY-UHFFFAOYSA-N
XLogP4.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide (CID 10692311) is N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1.
What is the InChIKey of N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is RXXUUOXLWJGPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-7-2-3-8-20(17)24(29)27-19-14-12-18(13-15-19)25(30)28-16-6-10-22(26)21-9-4-5-11-23(21)28/h2-5,7-9,11-15,22H,6,10,16,26H2,1H3,(H,27,29).
What are the key properties of N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide?
N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 10692311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).