N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide

C18H21N3O4 — CID 9012111

IUPACN-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
SMILESCN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-20(15-6-3-2-4-7-15)13-5-12-19-18(22)14-25-17-10-8-16(9-11-17)21(23)24/h2-4,6-11H,5,12-14H2,1H3,(H,19,22)
InChIKeyZOLMPKRCAQFFGV-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.62
Rot. Bonds9

About N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide

N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 9012111) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
PubChem CID9012111
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
SMILESCN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-20(15-6-3-2-4-7-15)13-5-12-19-18(22)14-25-17-10-8-16(9-11-17)21(23)24/h2-4,6-11H,5,12-14H2,1H3,(H,19,22)
InChIKeyZOLMPKRCAQFFGV-UHFFFAOYSA-N
XLogP2.62
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 55907894
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
[2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 8808734
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
CID 8802905
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
1-[3-(N-methylanilino)propyl]-3-(4-nitrophenyl)thiourea
CID 8657617
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide (CID 9012111) is N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide is CN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is ZOLMPKRCAQFFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-20(15-6-3-2-4-7-15)13-5-12-19-18(22)14-25-17-10-8-16(9-11-17)21(23)24/h2-4,6-11H,5,12-14H2,1H3,(H,19,22).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide?
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 9012111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).