4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C19H22N4O4 — CID 27782813

IUPAC4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O4/c1-11-7-12(2)18(13(3)8-11)22-17(24)10-21-19(25)14-5-6-15(20-4)16(9-14)23(26)27/h5-9,20H,10H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyHHVUCDVCOSUVSF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.93
Rot. Bonds6

About 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 27782813) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID27782813
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O4/c1-11-7-12(2)18(13(3)8-11)22-17(24)10-21-19(25)14-5-6-15(20-4)16(9-14)23(26)27/h5-9,20H,10H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyHHVUCDVCOSUVSF-UHFFFAOYSA-N
XLogP2.93
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
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

4-(cyclopropylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713720
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 47847319
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
4-methyl-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 24574857
2-(4-nitrophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26714074
N-[(4-fluorophenyl)methyl]-4-(methylamino)-3-nitrobenzamide
CID 7406793
5-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]furan-2-carboxamide
CID 26713870
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
4-(methylamino)-N-(3-methylsulfinylpropyl)-3-nitrobenzamide
CID 115621276
4-methyl-N-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 16962883
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 4783926

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 27782813) is 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is CNc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is HHVUCDVCOSUVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-7-12(2)18(13(3)8-11)22-17(24)10-21-19(25)14-5-6-15(20-4)16(9-14)23(26)27/h5-9,20H,10H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 27782813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).