N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

C22H25N3O3 — CID 108543980

IUPACN-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N2CCCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-17-8-10-19(11-9-17)22(28)25-13-5-12-24(14-15-25)20(26)16-23-21(27)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3,(H,23,27)
InChIKeyMETAXKRAAXHAAZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.10
Rot. Bonds4

About N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (PubChem CID 108543980) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
PubChem CID108543980
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)N2CCCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-17-8-10-19(11-9-17)22(28)25-13-5-12-24(14-15-25)20(26)16-23-21(27)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3,(H,23,27)
InChIKeyMETAXKRAAXHAAZ-UHFFFAOYSA-N
XLogP2.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86884558
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 110810039
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
N-[2-[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108545003
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
N-[2-oxo-2-[4-[2-(pyridine-4-carbonylamino)acetyl]-1,4-diazepan-1-yl]ethyl]pyridine-4-carboxamide
CID 166219117

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (CID 108543980) is N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is Cc1ccc(C(=O)N2CCCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The InChIKey is METAXKRAAXHAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17-8-10-19(11-9-17)22(28)25-13-5-12-24(14-15-25)20(26)16-23-21(27)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3,(H,23,27).
What are the key properties of N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 108543980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).