6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide

C17H29N3O2 — CID 578546

IUPAC6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)N(C)CC#CCN1CCCC1
InChIInChI=1S/C17H29N3O2/c1-16(21)18-11-5-3-4-10-17(22)19(2)12-6-7-13-20-14-8-9-15-20/h3-5,8-15H2,1-2H3,(H,18,21)
InChIKeyWRNYDOSWHRPGKF-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.24
Rot. Bonds8

About 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide

6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide (PubChem CID 578546) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide
PubChem CID578546
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)N(C)CC#CCN1CCCC1
InChIInChI=1S/C17H29N3O2/c1-16(21)18-11-5-3-4-10-17(22)19(2)12-6-7-13-20-14-8-9-15-20/h3-5,8-15H2,1-2H3,(H,18,21)
InChIKeyWRNYDOSWHRPGKF-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Poly(imino(1,6-dioxo-1,6-hexanediyl)imino-1,6-hexanediyl)
CID 3032893
Butyramide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
CID 27252
6-Acetamidohexanamide
CID 21103226
6-acetamido-N-methylhexanamide
CID 341836
6-acetamido-N,N-dimethylhexanamide
CID 341887
N1-acetyl-N7-n-hexanoyl cadaverine
CID 134337318
6-acetamido-N-ethylhexanamide
CID 60653295
N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)acetamide
CID 72743644
N,N'-Di-n-hexyladipamide
CID 140811
N,N'-dipropylhexanediamide
CID 5240982
Hexanediamide, N,N'-dibutyl-
CID 3626805
Hexanamide, N,N'-1,6-hexanediylbis-
CID 5045757

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide?
The IUPAC name of 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide (CID 578546) is 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide?
The canonical SMILES for 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide is CC(=O)NCCCCCC(=O)N(C)CC#CCN1CCCC1.
What is the InChIKey of 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide?
The InChIKey is WRNYDOSWHRPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-16(21)18-11-5-3-4-10-17(22)19(2)12-6-7-13-20-14-8-9-15-20/h3-5,8-15H2,1-2H3,(H,18,21).
What are the key properties of 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide?
6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide has a molecular weight of 307.44 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)hexanamide is sourced from PubChem (CID 578546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).