2-(2-amino-N-propylanilino)-N-butylacetamide

C15H25N3O — CID 63230533

IUPAC2-(2-amino-N-propylanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(CCC)c1ccccc1N
InChIInChI=1S/C15H25N3O/c1-3-5-10-17-15(19)12-18(11-4-2)14-9-7-6-8-13(14)16/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyBBWOIJUSDFDAIX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds8

About 2-(2-amino-N-propylanilino)-N-butylacetamide

2-(2-amino-N-propylanilino)-N-butylacetamide (PubChem CID 63230533) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-amino-N-propylanilino)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-N-propylanilino)-N-butylacetamide
PubChem CID63230533
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2-amino-N-propylanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(CCC)c1ccccc1N
InChIInChI=1S/C15H25N3O/c1-3-5-10-17-15(19)12-18(11-4-2)14-9-7-6-8-13(14)16/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyBBWOIJUSDFDAIX-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
CID 63230630
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
propan-2-yl 2-(2-amino-N-propylanilino)acetate
CID 63230765
3-amino-4-[[2-(butylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 63119071
2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
CID 63230718
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
CID 61486088
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-propylanilino)-N-butylacetamide?
The IUPAC name of 2-(2-amino-N-propylanilino)-N-butylacetamide (CID 63230533) is 2-(2-amino-N-propylanilino)-N-butylacetamide.
What is the SMILES notation for 2-(2-amino-N-propylanilino)-N-butylacetamide?
The canonical SMILES for 2-(2-amino-N-propylanilino)-N-butylacetamide is CCCCNC(=O)CN(CCC)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-propylanilino)-N-butylacetamide?
The InChIKey is BBWOIJUSDFDAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-5-10-17-15(19)12-18(11-4-2)14-9-7-6-8-13(14)16/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-amino-N-propylanilino)-N-butylacetamide?
2-(2-amino-N-propylanilino)-N-butylacetamide has a molecular weight of 263.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-propylanilino)-N-butylacetamide is sourced from PubChem (CID 63230533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).