N,2-diethyl-N-pyrrolidin-3-ylbutanamide

C12H24N2O — CID 60805502

IUPACN,2-diethyl-N-pyrrolidin-3-ylbutanamide
SMILESCCC(CC)C(=O)N(CC)C1CCNC1
InChIInChI=1S/C12H24N2O/c1-4-10(5-2)12(15)14(6-3)11-7-8-13-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeySMKSYEZQEJLXMT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds5

About N,2-diethyl-N-pyrrolidin-3-ylbutanamide

N,2-diethyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 60805502) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N,2-diethyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound NameN,2-diethyl-N-pyrrolidin-3-ylbutanamide
PubChem CID60805502
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN,2-diethyl-N-pyrrolidin-3-ylbutanamide
SMILESCCC(CC)C(=O)N(CC)C1CCNC1
InChIInChI=1S/C12H24N2O/c1-4-10(5-2)12(15)14(6-3)11-7-8-13-9-11/h10-11,13H,4-9H2,1-3H3
InChIKeySMKSYEZQEJLXMT-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-N-piperidin-3-ylhexanamide
CID 60807236
N,2-diethyl-N-piperidin-4-ylhexanamide
CID 54923588
N-ethyl-N-piperidin-4-yl-2-propylpentanamide
CID 82986952
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
N-ethyl-3,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide
CID 63833754
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride
CID 119530614
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide
CID 76994777

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of N,2-diethyl-N-pyrrolidin-3-ylbutanamide (CID 60805502) is N,2-diethyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for N,2-diethyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for N,2-diethyl-N-pyrrolidin-3-ylbutanamide is CCC(CC)C(=O)N(CC)C1CCNC1.
What is the InChIKey of N,2-diethyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is SMKSYEZQEJLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10(5-2)12(15)14(6-3)11-7-8-13-9-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N,2-diethyl-N-pyrrolidin-3-ylbutanamide?
N,2-diethyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 60805502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).