N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide

C19H24N4O3 — CID 47787642

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC)c1
InChIInChI=1S/C19H24N4O3/c1-4-22(3)13-15-7-5-6-14(10-15)12-21-19(24)17-11-16(23(25)26)8-9-18(17)20-2/h5-11,20H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyRWKHEQLGXMRMOW-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.02
Rot. Bonds8

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide (PubChem CID 47787642) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
PubChem CID47787642
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC)c1
InChIInChI=1S/C19H24N4O3/c1-4-22(3)13-15-7-5-6-14(10-15)12-21-19(24)17-11-16(23(25)26)8-9-18(17)20-2/h5-11,20H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyRWKHEQLGXMRMOW-UHFFFAOYSA-N
XLogP3.02
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
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-(1,3-benzodioxol-5-ylmethyl)-2-(methylamino)-5-nitrobenzamide
CID 30267340
3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 105069816
N-[[4-(methoxymethyl)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46415800
2-(methylamino)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-nitrobenzamide
CID 46455730
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 55839436
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-4-nitroaniline
CID 133274058
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 55549057
2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60972399
N-[[2-(methanesulfonamido)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46476318
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 46540939
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
2-(benzylamino)-N-[(4-fluorophenyl)methyl]-5-nitrobenzamide
CID 7551323

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide (CID 47787642) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide is CCN(C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2NC)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
The InChIKey is RWKHEQLGXMRMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-22(3)13-15-7-5-6-14(10-15)12-21-19(24)17-11-16(23(25)26)8-9-18(17)20-2/h5-11,20H,4,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide has a molecular weight of 356.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 47787642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).