N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride

C12H25ClN2O — CID 119676464

IUPACN-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCCCN(CC)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-5-9-14(4-2)12(15)10-11-7-6-8-13-11;/h11,13H,3-10H2,1-2H3;1H
InChIKeyWLUKINIDSGENAO-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.20
Rot. Bonds6

About N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride

N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119676464) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119676464
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCCCCN(CC)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-5-9-14(4-2)12(15)10-11-7-6-8-13-11;/h11,13H,3-10H2,1-2H3;1H
InChIKeyWLUKINIDSGENAO-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 107398386
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N,N-dibutyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147528
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-ethyl-N-propan-2-yl-2-pyrrolidin-2-ylacetamide
CID 61372730
2-cyclohexyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609305
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
N,N-dibutyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519883
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 119767629

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119676464) is N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride is CCCCN(CC)C(=O)CC1CCCN1.Cl.
What is the InChIKey of N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is WLUKINIDSGENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-5-9-14(4-2)12(15)10-11-7-6-8-13-11;/h11,13H,3-10H2,1-2H3;1H.
What are the key properties of N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119676464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).