2-(4-amino-N-propylanilino)-N-propylacetamide

C14H23N3O — CID 55174400

IUPAC2-(4-amino-N-propylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-3-9-16-14(18)11-17(10-4-2)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18)
InChIKeyWDEXWZOHTXGMPW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds7

About 2-(4-amino-N-propylanilino)-N-propylacetamide

2-(4-amino-N-propylanilino)-N-propylacetamide (PubChem CID 55174400) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-N-propylacetamide
PubChem CID55174400
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(4-amino-N-propylanilino)-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-3-9-16-14(18)11-17(10-4-2)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18)
InChIKeyWDEXWZOHTXGMPW-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-propylanilino)-N-(2-methoxyethyl)acetamide
CID 55173821
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
CID 63231608
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741239
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
CID 111859978
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)-N-propylacetamide?
The IUPAC name of 2-(4-amino-N-propylanilino)-N-propylacetamide (CID 55174400) is 2-(4-amino-N-propylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-N-propylacetamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)-N-propylacetamide is CCCNC(=O)CN(CCC)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-propylanilino)-N-propylacetamide?
The InChIKey is WDEXWZOHTXGMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-16-14(18)11-17(10-4-2)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-amino-N-propylanilino)-N-propylacetamide?
2-(4-amino-N-propylanilino)-N-propylacetamide has a molecular weight of 249.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-N-propylacetamide is sourced from PubChem (CID 55174400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).