N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide

C18H36N2O — CID 58849127

IUPACN-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide
SMILESCCCCN(CCCCN1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C18H36N2O/c1-5-6-14-20(17(21)16-18(2,3)4)15-10-9-13-19-11-7-8-12-19/h5-16H2,1-4H3
InChIKeyBHDUOMBDPRSACL-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.93
Rot. Bonds9

About N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide

N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide (PubChem CID 58849127) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide
PubChem CID58849127
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide
SMILESCCCCN(CCCCN1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C18H36N2O/c1-5-6-14-20(17(21)16-18(2,3)4)15-10-9-13-19-11-7-8-12-19/h5-16H2,1-4H3
InChIKeyBHDUOMBDPRSACL-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide (CID 58849127) is N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide is CCCCN(CCCCN1CCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide?
The InChIKey is BHDUOMBDPRSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-6-14-20(17(21)16-18(2,3)4)15-10-9-13-19-11-7-8-12-19/h5-16H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide?
N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide has a molecular weight of 296.50 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butanamide is sourced from PubChem (CID 58849127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).