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

C19H21N3O4 — CID 110807717

IUPACN-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O4/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/h1-4,6-8,13H,5,9-12,14H2,(H,20,24)
InChIKeyZCRVFUTWENZJJS-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.38
Rot. Bonds4

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

N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (PubChem CID 110807717) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
PubChem CID110807717
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C19H21N3O4/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/h1-4,6-8,13H,5,9-12,14H2,(H,20,24)
InChIKeyZCRVFUTWENZJJS-UHFFFAOYSA-N
XLogP1.38
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
tert-butyl N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543095
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 29154616
1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea
CID 112994619
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (CID 110807717) is N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The InChIKey is ZCRVFUTWENZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/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/h1-4,6-8,13H,5,9-12,14H2,(H,20,24).
What are the key properties of N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide has a molecular weight of 355.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 110807717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).