N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide

C24H40N2O — CID 23051666

IUPACN-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide
SMILESCCCCC(=CCCCN(CCCCc1cccnc1)C(C)=O)CCCC
InChIInChI=1S/C24H40N2O/c1-4-6-13-23(14-7-5-2)15-8-10-19-26(22(3)27)20-11-9-16-24-17-12-18-25-21-24/h12,15,17-18,21H,4-11,13-14,16,19-20H2,1-3H3
InChIKeyYTZGXIFGJAIPJQ-UHFFFAOYSA-N
MW372.60 g/mol
LogP6.34
Rot. Bonds15

About N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide

N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide (PubChem CID 23051666) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide.

Molecular Properties

Compound NameN-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide
PubChem CID23051666
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC NameN-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide
SMILESCCCCC(=CCCCN(CCCCc1cccnc1)C(C)=O)CCCC
InChIInChI=1S/C24H40N2O/c1-4-6-13-23(14-7-5-2)15-8-10-19-26(22(3)27)20-11-9-16-24-17-12-18-25-21-24/h12,15,17-18,21H,4-11,13-14,16,19-20H2,1-3H3
InChIKeyYTZGXIFGJAIPJQ-UHFFFAOYSA-N
XLogP6.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine
CID 23051542
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913
N-(2-hydroxyethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 60682520
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 14851656
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
3-butylpyridine;ethyl dodecanoate;hydrobromide
CID 175058643
N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843

Frequently Asked Questions

What is the IUPAC name of N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide?
The IUPAC name of N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide (CID 23051666) is N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide.
What is the SMILES notation for N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide?
The canonical SMILES for N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide is CCCCC(=CCCCN(CCCCc1cccnc1)C(C)=O)CCCC.
What is the InChIKey of N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide?
The InChIKey is YTZGXIFGJAIPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O/c1-4-6-13-23(14-7-5-2)15-8-10-19-26(22(3)27)20-11-9-16-24-17-12-18-25-21-24/h12,15,17-18,21H,4-11,13-14,16,19-20H2,1-3H3.
What are the key properties of N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide?
N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide has a molecular weight of 372.60 g/mol, XLogP of 6.34, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide is sourced from PubChem (CID 23051666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).