2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide

C15H25N3O2 — CID 43136352

IUPAC2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C15H25N3O2/c1-3-10-17-15(19)12-18(11-4-9-16)13-5-7-14(20-2)8-6-13/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19)
InChIKeyAEBCUHJSAAISBX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.38
Rot. Bonds9

About 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide

2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide (PubChem CID 43136352) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
PubChem CID43136352
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C15H25N3O2/c1-3-10-17-15(19)12-18(11-4-9-16)13-5-7-14(20-2)8-6-13/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19)
InChIKeyAEBCUHJSAAISBX-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
CID 43136229
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
CID 43319129
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
CID 62624331
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
CID 111859978
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43136363
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide?
The IUPAC name of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide (CID 43136352) is 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide is CCCNC(=O)CN(CCCN)c1ccc(OC)cc1.
What is the InChIKey of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide?
The InChIKey is AEBCUHJSAAISBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-10-17-15(19)12-18(11-4-9-16)13-5-7-14(20-2)8-6-13/h5-8H,3-4,9-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide?
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide has a molecular weight of 279.38 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide is sourced from PubChem (CID 43136352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).