4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide

C20H24N6O8 — CID 3666858

IUPAC4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide
SMILESCCN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC
InChIInChI=1S/C20H24N6O8/c1-5-23(9-8-21-15-7-6-13(24(28)29)10-16(15)25(30)31)20(27)14-11-18(26(32)33)17(22(2)3)12-19(14)34-4/h6-7,10-12,21H,5,8-9H2,1-4H3
InChIKeyOAIOWFBFRTXBER-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.06
Rot. Bonds11

About 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide

4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide (PubChem CID 3666858) has the molecular formula C20H24N6O8 and a molecular weight of 476.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide
PubChem CID3666858
Molecular FormulaC20H24N6O8
Molecular Weight476.45 g/mol
Exact Mass476.17
IUPAC Name4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide
SMILESCCN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC
InChIInChI=1S/C20H24N6O8/c1-5-23(9-8-21-15-7-6-13(24(28)29)10-16(15)25(30)31)20(27)14-11-18(26(32)33)17(22(2)3)12-19(14)34-4/h6-7,10-12,21H,5,8-9H2,1-4H3
InChIKeyOAIOWFBFRTXBER-UHFFFAOYSA-N
XLogP3.06
TPSA174.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-(2,4-dinitrophenyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 21209129
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,4-dinitroaniline
CID 103952478
2-[2-[ethyl(methyl)amino]ethylamino]-5-nitrobenzoic acid
CID 55097837
N-butyl-2-methoxy-4-nitroaniline
CID 43720101
2-(2,4-dinitroanilino)-N-(2-hydroxyethyl)-N-methylethanesulfonamide
CID 154104155
ethyl 4-(2,4-dinitroanilino)butanoate
CID 2836112
2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
CID 78798198
2-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895
N-[2-(4-methoxyphenyl)ethyl]-2,4-dinitroaniline
CID 9281277
methyl 4-[2-(dimethylamino)ethylamino]-3-nitrobenzoate
CID 19811345
2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
CID 51160125

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide (CID 3666858) is 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide is CCN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC.
What is the InChIKey of 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide?
The InChIKey is OAIOWFBFRTXBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O8/c1-5-23(9-8-21-15-7-6-13(24(28)29)10-16(15)25(30)31)20(27)14-11-18(26(32)33)17(22(2)3)12-19(14)34-4/h6-7,10-12,21H,5,8-9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide?
4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide has a molecular weight of 476.45 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(2,4-dinitroanilino)ethyl]-N-ethyl-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 3666858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).