N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride

C11H22ClN3O2 — CID 119553258

IUPACN-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-3-4-10(15)13-8-11(16)14(2)9-5-6-12-7-9;/h9,12H,3-8H2,1-2H3,(H,13,15);1H
InChIKeyQSMNEHSGTHJFHR-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.14
Rot. Bonds5

About N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride

N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119553258) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
PubChem CID119553258
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC NameN-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-3-4-10(15)13-8-11(16)14(2)9-5-6-12-7-9;/h9,12H,3-8H2,1-2H3,(H,13,15);1H
InChIKeyQSMNEHSGTHJFHR-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]propanamide
CID 119550902
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
CID 119553064
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
CID 119531548
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride (CID 119553258) is N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride is CCCC(=O)NCC(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is QSMNEHSGTHJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-3-4-10(15)13-8-11(16)14(2)9-5-6-12-7-9;/h9,12H,3-8H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride?
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride is sourced from PubChem (CID 119553258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).