N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide

C22H21N3O5 — CID 47092372

IUPACN-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5/c1-24(16-8-11-19(12-9-16)30-18-6-4-3-5-7-18)15-22(26)23-20-13-10-17(25(27)28)14-21(20)29-2/h3-14H,15H2,1-2H3,(H,23,26)
InChIKeyPNALXEMBZLYNAM-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.47
Rot. Bonds8

About N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide

N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide (PubChem CID 47092372) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide
PubChem CID47092372
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5/c1-24(16-8-11-19(12-9-16)30-18-6-4-3-5-7-18)15-22(26)23-20-13-10-17(25(27)28)14-21(20)29-2/h3-14H,15H2,1-2H3,(H,23,26)
InChIKeyPNALXEMBZLYNAM-UHFFFAOYSA-N
XLogP4.47
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 4151536
N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 55534143
N-(2-methoxy-4-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975221
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 55571800
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 1016304
2-phenoxyethyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 4276439

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide (CID 47092372) is N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide?
The InChIKey is PNALXEMBZLYNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-24(16-8-11-19(12-9-16)30-18-6-4-3-5-7-18)15-22(26)23-20-13-10-17(25(27)28)14-21(20)29-2/h3-14H,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide?
N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide has a molecular weight of 407.43 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 47092372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).