N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

C20H23N3O5 — CID 90512006

IUPACN-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C20H23N3O5/c1-2-3-11-21(12-15-7-5-4-6-8-15)19(24)16-13-22(14-16)20(25)17-9-10-18(28-17)23(26)27/h4-10,16H,2-3,11-14H2,1H3
InChIKeyZUKHQUKOQRGZQT-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.09
Rot. Bonds8

About N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90512006) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
PubChem CID90512006
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C20H23N3O5/c1-2-3-11-21(12-15-7-5-4-6-8-15)19(24)16-13-22(14-16)20(25)17-9-10-18(28-17)23(26)27/h4-10,16H,2-3,11-14H2,1H3
InChIKeyZUKHQUKOQRGZQT-UHFFFAOYSA-N
XLogP3.09
TPSA96.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-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

N-benzyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512004
N-butyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512000
N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511996
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
(2-methylpiperidin-1-yl)-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90512014
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511974
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (CID 90512006) is N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is CCCCN(Cc1ccccc1)C(=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is ZUKHQUKOQRGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-3-11-21(12-15-7-5-4-6-8-15)19(24)16-13-22(14-16)20(25)17-9-10-18(28-17)23(26)27/h4-10,16H,2-3,11-14H2,1H3.
What are the key properties of N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).