N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide

C19H23N3O5 — CID 72912569

IUPACN-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C19H23N3O5/c1-25-15-4-5-17(26-2)16(12-15)20-19(24)22-8-3-7-21(9-10-22)18(23)14-6-11-27-13-14/h4-6,11-13H,3,7-10H2,1-2H3,(H,20,24)
InChIKeyVVXPSZPELLMYPP-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.68
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide

N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 72912569) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID72912569
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C19H23N3O5/c1-25-15-4-5-17(26-2)16(12-15)20-19(24)22-8-3-7-21(9-10-22)18(23)14-6-11-27-13-14/h4-6,11-13H,3,7-10H2,1-2H3,(H,20,24)
InChIKeyVVXPSZPELLMYPP-UHFFFAOYSA-N
XLogP2.68
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2,5-dimethoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102951
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105238
N-(2,5-dimethoxyphenyl)-1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53066866
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(furan-3-yl)methanone
CID 56819357
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide (CID 72912569) is N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide is COc1ccc(OC)c(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is VVXPSZPELLMYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-15-4-5-17(26-2)16(12-15)20-19(24)22-8-3-7-21(9-10-22)18(23)14-6-11-27-13-14/h4-6,11-13H,3,7-10H2,1-2H3,(H,20,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 72912569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).