2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide

C17H19N3O4 — CID 47077887

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C17H19N3O4/c1-12-4-2-6-15(20(22)23)17(12)18-16(21)11-19(13-7-8-13)10-14-5-3-9-24-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,18,21)
InChIKeyWMPDLRXJBHPFKG-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.10
Rot. Bonds7

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide

2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 47077887) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID47077887
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C17H19N3O4/c1-12-4-2-6-15(20(22)23)17(12)18-16(21)11-19(13-7-8-13)10-14-5-3-9-24-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,18,21)
InChIKeyWMPDLRXJBHPFKG-UHFFFAOYSA-N
XLogP3.10
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
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'}

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Related Compounds

furan-2-ylmethyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
CID 9334123
N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8710505
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 84567705
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 42921555
2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 87017996
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 34218671
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
N-(4-chloro-3-nitrophenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567295
trans-[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776755
N-(4-chloro-2-nitrophenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567375

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide (CID 47077887) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccco1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is WMPDLRXJBHPFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-4-2-6-15(20(22)23)17(12)18-16(21)11-19(13-7-8-13)10-14-5-3-9-24-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,18,21).
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide?
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 47077887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).