N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide

C19H25N3O4 — CID 110807089

IUPACN-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H25N3O4/c23-17(14-20-18(24)15-6-2-1-3-7-15)21-9-5-10-22(12-11-21)19(25)16-8-4-13-26-16/h1-3,6-7,16H,4-5,8-14H2,(H,20,24)
InChIKeyRZTQRQYUOWNBNY-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.66
Rot. Bonds4

About N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide

N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide (PubChem CID 110807089) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
PubChem CID110807089
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCN(C(=O)C2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H25N3O4/c23-17(14-20-18(24)15-6-2-1-3-7-15)21-9-5-10-22(12-11-21)19(25)16-8-4-13-26-16/h1-3,6-7,16H,4-5,8-14H2,(H,20,24)
InChIKeyRZTQRQYUOWNBNY-UHFFFAOYSA-N
XLogP0.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110816183
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
N-[2-oxo-2-[4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 108544985
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
2-anilino-2-methyl-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 134713612
N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 2815642
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
3-(2-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797569
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide (CID 110807089) is N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCCN(C(=O)C2CCCO2)CC1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The InChIKey is RZTQRQYUOWNBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c23-17(14-20-18(24)15-6-2-1-3-7-15)21-9-5-10-22(12-11-21)19(25)16-8-4-13-26-16/h1-3,6-7,16H,4-5,8-14H2,(H,20,24).
What are the key properties of N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide is sourced from PubChem (CID 110807089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).