3-methyl-4-nitro-N,N-dipropylbenzamide

C14H20N2O3 — CID 786985

IUPAC3-methyl-4-nitro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H20N2O3/c1-4-8-15(9-5-2)14(17)12-6-7-13(16(18)19)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyDBKFJQQHSAZFFV-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.17
Rot. Bonds6

About 3-methyl-4-nitro-N,N-dipropylbenzamide

3-methyl-4-nitro-N,N-dipropylbenzamide (PubChem CID 786985) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-4-nitro-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N,N-dipropylbenzamide
PubChem CID786985
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-4-nitro-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H20N2O3/c1-4-8-15(9-5-2)14(17)12-6-7-13(16(18)19)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyDBKFJQQHSAZFFV-UHFFFAOYSA-N
XLogP3.17
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hydroxyethyl)-3-methyl-4-nitro-N-propylbenzamide
CID 60656043
N-(2-cyanoethyl)-N-ethyl-3-methyl-4-nitrobenzamide
CID 54993104
N-ethyl-3-methyl-4-nitro-N-prop-2-ynylbenzamide
CID 78970396
N-(cyanomethyl)-N-ethyl-3-methyl-4-nitrobenzamide
CID 47796734
N-[2-(dimethylamino)ethyl]-3-fluoro-4-nitro-N-propylbenzamide
CID 62682179
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 103857285
N-(2-aminoethyl)-3-methyl-4-nitro-N-(2-phenylethyl)benzamide
CID 120887038
N-butyl-3-methyl-4-nitro-N-phenylbenzamide
CID 2987199
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propan-2-ylbenzamide
CID 43573129
4-bromo-N,N-dibutyl-3-nitrobenzamide
CID 43244140

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N,N-dipropylbenzamide?
The IUPAC name of 3-methyl-4-nitro-N,N-dipropylbenzamide (CID 786985) is 3-methyl-4-nitro-N,N-dipropylbenzamide.
What is the SMILES notation for 3-methyl-4-nitro-N,N-dipropylbenzamide?
The canonical SMILES for 3-methyl-4-nitro-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 3-methyl-4-nitro-N,N-dipropylbenzamide?
The InChIKey is DBKFJQQHSAZFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-8-15(9-5-2)14(17)12-6-7-13(16(18)19)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 3-methyl-4-nitro-N,N-dipropylbenzamide?
3-methyl-4-nitro-N,N-dipropylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N,N-dipropylbenzamide is sourced from PubChem (CID 786985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).