N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

C16H19N3O4 — CID 8710505

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccco2)c1C
InChIInChI=1S/C16H19N3O4/c1-11-6-7-14(19(21)22)16(12(11)2)17-15(20)10-18(3)9-13-5-4-8-23-13/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyXHPQQUHGWVXFCQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.88
Rot. Bonds6

About N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (PubChem CID 8710505) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
PubChem CID8710505
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccco2)c1C
InChIInChI=1S/C16H19N3O4/c1-11-6-7-14(19(21)22)16(12(11)2)17-15(20)10-18(3)9-13-5-4-8-23-13/h4-8H,9-10H2,1-3H3,(H,17,20)
InChIKeyXHPQQUHGWVXFCQ-UHFFFAOYSA-N
XLogP2.88
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.88
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

N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677413
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 8676685
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8710504
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8709670
N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9334177
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054887
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077887
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(2,3-dimethyl-6-nitrophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755838
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755839
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (CID 8710505) is N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccco2)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The InChIKey is XHPQQUHGWVXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-6-7-14(19(21)22)16(12(11)2)17-15(20)10-18(3)9-13-5-4-8-23-13/h4-8H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 8710505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).