N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide

C24H22N2O3 — CID 10762739

IUPACN-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1
InChIInChI=1S/C24H22N2O3/c1-17-6-2-4-8-21(17)23(27)25-20-12-10-18(11-13-20)24(28)26-14-15-29-16-19-7-3-5-9-22(19)26/h2-13H,14-16H2,1H3,(H,25,27)
InChIKeyPKJHHJMHOFCZLY-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.42
Rot. Bonds3

About N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide

N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 10762739) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID10762739
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1
InChIInChI=1S/C24H22N2O3/c1-17-6-2-4-8-21(17)23(27)25-20-12-10-18(11-13-20)24(28)26-14-15-29-16-19-7-3-5-9-22(19)26/h2-13H,14-16H2,1H3,(H,25,27)
InChIKeyPKJHHJMHOFCZLY-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide (CID 10762739) is N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1.
What is the InChIKey of N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is PKJHHJMHOFCZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-6-2-4-8-21(17)23(27)25-20-12-10-18(11-13-20)24(28)26-14-15-29-16-19-7-3-5-9-22(19)26/h2-13H,14-16H2,1H3,(H,25,27).
What are the key properties of N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide?
N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 386.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dihydro-2H-4,1-benzoxazepine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 10762739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).