[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone

C21H24N2O4 — CID 1292142

IUPAC[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C21H24N2O4/c1-26-18-10-5-3-8-16(18)20(24)22-12-7-13-23(15-14-22)21(25)17-9-4-6-11-19(17)27-2/h3-6,8-11H,7,12-15H2,1-2H3
InChIKeyXXGLESOHKLSGIJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.69
Rot. Bonds4

About [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone

[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 1292142) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
PubChem CID1292142
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C21H24N2O4/c1-26-18-10-5-3-8-16(18)20(24)22-12-7-13-23(15-14-22)21(25)17-9-4-6-11-19(17)27-2/h3-6,8-11H,7,12-15H2,1-2H3
InChIKeyXXGLESOHKLSGIJ-UHFFFAOYSA-N
XLogP2.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone (CID 1292142) is [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is XXGLESOHKLSGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-10-5-3-8-16(18)20(24)22-12-7-13-23(15-14-22)21(25)17-9-4-6-11-19(17)27-2/h3-6,8-11H,7,12-15H2,1-2H3.
What are the key properties of [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone?
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 368.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 1292142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).