N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide

C22H25N3O4 — CID 24736384

IUPACN-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C1CCCc2cc(C(=O)N3CCCN(C(=O)NCc4ccco4)CC3)ccc21
InChIInChI=1S/C22H25N3O4/c26-20-6-1-4-16-14-17(7-8-19(16)20)21(27)24-9-3-10-25(12-11-24)22(28)23-15-18-5-2-13-29-18/h2,5,7-8,13-14H,1,3-4,6,9-12,15H2,(H,23,28)
InChIKeyCVJLRUCZVNJGBY-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.86
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide

N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 24736384) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID24736384
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C1CCCc2cc(C(=O)N3CCCN(C(=O)NCc4ccco4)CC3)ccc21
InChIInChI=1S/C22H25N3O4/c26-20-6-1-4-16-14-17(7-8-19(16)20)21(27)24-9-3-10-25(12-11-24)22(28)23-15-18-5-2-13-29-18/h2,5,7-8,13-14H,1,3-4,6,9-12,15H2,(H,23,28)
InChIKeyCVJLRUCZVNJGBY-UHFFFAOYSA-N
XLogP2.86
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 47062417
N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 24736382
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53053398
1-(furan-2-ylmethyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 2954454
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
4-[(3R)-1-(furan-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 97203993
N-(furan-2-ylmethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103527
4-acetyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 3868005
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide (CID 24736384) is N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide is O=C1CCCc2cc(C(=O)N3CCCN(C(=O)NCc4ccco4)CC3)ccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is CVJLRUCZVNJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-20-6-1-4-16-14-17(7-8-19(16)20)21(27)24-9-3-10-25(12-11-24)22(28)23-15-18-5-2-13-29-18/h2,5,7-8,13-14H,1,3-4,6,9-12,15H2,(H,23,28).
What are the key properties of N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 24736384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).