3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide

C15H16N2O4 — CID 99840653

IUPAC3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1occc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-3-8-16(15(18)14-11(2)7-9-21-14)12-5-4-6-13(10-12)17(19)20/h4-7,9-10H,3,8H2,1-2H3
InChIKeyZUMHUVHCGRJHPI-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.55
Rot. Bonds5

About 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide

3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide (PubChem CID 99840653) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide
PubChem CID99840653
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1occc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-3-8-16(15(18)14-11(2)7-9-21-14)12-5-4-6-13(10-12)17(19)20/h4-7,9-10H,3,8H2,1-2H3
InChIKeyZUMHUVHCGRJHPI-UHFFFAOYSA-N
XLogP3.55
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-methyl-N-(3-nitrophenyl)-N-propyl-1,2-oxazole-5-carboxamide
CID 167820065
5-chloro-N-(3-nitrophenyl)-N-propylpyridine-2-carboxamide
CID 99840640
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
2-(N-benzoyl-3-nitroanilino)acetic acid
CID 14484971
N-methyl-N-(3-nitrophenyl)butanamide
CID 12033690
(2R)-2-(N-ethyl-3-nitroanilino)butanoic acid
CID 100521914
4-(3-nitro-N-propylanilino)oxolane-3-carboxylic acid
CID 66253611
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
N-(2-methyl-4-nitrophenyl)-N-propylacetamide
CID 142884407
N-ethyl-3-nitro-N-[(Z)-pent-2-en-4-yn-2-yl]aniline
CID 126614867
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide (CID 99840653) is 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide is CCCN(C(=O)c1occc1C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide?
The InChIKey is ZUMHUVHCGRJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-8-16(15(18)14-11(2)7-9-21-14)12-5-4-6-13(10-12)17(19)20/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide?
3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-nitrophenyl)-N-propylfuran-2-carboxamide is sourced from PubChem (CID 99840653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).