4-(N-ethyl-3,4-dipropylanilino)butanamide

C18H30N2O — CID 143016662

IUPAC4-(N-ethyl-3,4-dipropylanilino)butanamide
SMILESCCCc1ccc(N(CC)CCCC(N)=O)cc1CCC
InChIInChI=1S/C18H30N2O/c1-4-8-15-11-12-17(14-16(15)9-5-2)20(6-3)13-7-10-18(19)21/h11-12,14H,4-10,13H2,1-3H3,(H2,19,21)
InChIKeyMGFLXMHDBPCJPH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.68
Rot. Bonds10

About 4-(N-ethyl-3,4-dipropylanilino)butanamide

4-(N-ethyl-3,4-dipropylanilino)butanamide (PubChem CID 143016662) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(N-ethyl-3,4-dipropylanilino)butanamide.

Molecular Properties

Compound Name4-(N-ethyl-3,4-dipropylanilino)butanamide
PubChem CID143016662
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-(N-ethyl-3,4-dipropylanilino)butanamide
SMILESCCCc1ccc(N(CC)CCCC(N)=O)cc1CCC
InChIInChI=1S/C18H30N2O/c1-4-8-15-11-12-17(14-16(15)9-5-2)20(6-3)13-7-10-18(19)21/h11-12,14H,4-10,13H2,1-3H3,(H2,19,21)
InChIKeyMGFLXMHDBPCJPH-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-N,3-diethylanilino)propan-1-ol
CID 18004349
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
N'-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butyl]butanediamide
CID 123191277
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
4-(N-ethylanilino)butanoic acid
CID 11390560
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
3-(N-butylanilino)propanamide
CID 63172183
4-(3-chloro-N-ethyl-4-methoxyanilino)butanoic acid
CID 100521803
4-[butyl(ethyl)amino]-2-fluorobenzenecarbothioamide
CID 113295780
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3,4-dipropylanilino)butanamide?
The IUPAC name of 4-(N-ethyl-3,4-dipropylanilino)butanamide (CID 143016662) is 4-(N-ethyl-3,4-dipropylanilino)butanamide.
What is the SMILES notation for 4-(N-ethyl-3,4-dipropylanilino)butanamide?
The canonical SMILES for 4-(N-ethyl-3,4-dipropylanilino)butanamide is CCCc1ccc(N(CC)CCCC(N)=O)cc1CCC.
What is the InChIKey of 4-(N-ethyl-3,4-dipropylanilino)butanamide?
The InChIKey is MGFLXMHDBPCJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-8-15-11-12-17(14-16(15)9-5-2)20(6-3)13-7-10-18(19)21/h11-12,14H,4-10,13H2,1-3H3,(H2,19,21).
What are the key properties of 4-(N-ethyl-3,4-dipropylanilino)butanamide?
4-(N-ethyl-3,4-dipropylanilino)butanamide has a molecular weight of 290.45 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3,4-dipropylanilino)butanamide is sourced from PubChem (CID 143016662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).