N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

C21H26N4O5 — CID 27221763

IUPACN-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C21H26N4O5/c1-4-11-24(13-20(26)22-17-8-6-5-7-15(17)2)14-21(27)23-18-10-9-16(30-3)12-19(18)25(28)29/h5-10,12H,4,11,13-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyXDSFDRXTQGYVSQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.20
Rot. Bonds10

About N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide

N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 27221763) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
PubChem CID27221763
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C21H26N4O5/c1-4-11-24(13-20(26)22-17-8-6-5-7-15(17)2)14-21(27)23-18-10-9-16(30-3)12-19(18)25(28)29/h5-10,12H,4,11,13-14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyXDSFDRXTQGYVSQ-UHFFFAOYSA-N
XLogP3.20
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
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-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729454
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
2-[[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38177725
[2-(2-chloroanilino)-2-oxoethyl]-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037777
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide (CID 27221763) is N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is XDSFDRXTQGYVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-4-11-24(13-20(26)22-17-8-6-5-7-15(17)2)14-21(27)23-18-10-9-16(30-3)12-19(18)25(28)29/h5-10,12H,4,11,13-14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide?
N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 414.46 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 27221763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).