4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide

C20H27N3O2 — CID 42797092

IUPAC4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide
SMILESCCCCN(Cc1cnc2ccccc2c1)C(=O)CCCNC(C)=O
InChIInChI=1S/C20H27N3O2/c1-3-4-12-23(20(25)10-7-11-21-16(2)24)15-17-13-18-8-5-6-9-19(18)22-14-17/h5-6,8-9,13-14H,3-4,7,10-12,15H2,1-2H3,(H,21,24)
InChIKeyIVWWDKOJLYQMKS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.28
Rot. Bonds9

About 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide

4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide (PubChem CID 42797092) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide
PubChem CID42797092
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide
SMILESCCCCN(Cc1cnc2ccccc2c1)C(=O)CCCNC(C)=O
InChIInChI=1S/C20H27N3O2/c1-3-4-12-23(20(25)10-7-11-21-16(2)24)15-17-13-18-8-5-6-9-19(18)22-14-17/h5-6,8-9,13-14H,3-4,7,10-12,15H2,1-2H3,(H,21,24)
InChIKeyIVWWDKOJLYQMKS-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide
CID 42797094
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
1-quinolin-3-yloctan-1-one
CID 114963108
1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide
CID 123869454
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
CID 42706224
dimethyl 3-[(2-quinolin-3-ylacetyl)amino]propyl phosphate
CID 134463947
N-benzyl-N-butylpropanamide
CID 12502571
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide?
The IUPAC name of 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide (CID 42797092) is 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide?
The canonical SMILES for 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide is CCCCN(Cc1cnc2ccccc2c1)C(=O)CCCNC(C)=O.
What is the InChIKey of 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide?
The InChIKey is IVWWDKOJLYQMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-12-23(20(25)10-7-11-21-16(2)24)15-17-13-18-8-5-6-9-19(18)22-14-17/h5-6,8-9,13-14H,3-4,7,10-12,15H2,1-2H3,(H,21,24).
What are the key properties of 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide?
4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide has a molecular weight of 341.46 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide is sourced from PubChem (CID 42797092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).