2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride

C14H28ClN3O2 — CID 119552565

IUPAC2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride
SMILESCN(C(=O)CCCNC(=O)C(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-14(2,3)13(19)16-8-5-6-12(18)17(4)11-7-9-15-10-11;/h11,15H,5-10H2,1-4H3,(H,16,19);1H
InChIKeyDLLIHRZNVKDCHT-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.17
Rot. Bonds5

About 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride

2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride (PubChem CID 119552565) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride
PubChem CID119552565
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride
SMILESCN(C(=O)CCCNC(=O)C(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-14(2,3)13(19)16-8-5-6-12(18)17(4)11-7-9-15-10-11;/h11,15H,5-10H2,1-4H3,(H,16,19);1H
InChIKeyDLLIHRZNVKDCHT-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
4-chloro-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119552421
N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
CID 119553258
3-cyclopentyl-N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]propanamide
CID 119550902
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride (CID 119552565) is 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride is CN(C(=O)CCCNC(=O)C(C)(C)C)C1CCNC1.Cl.
What is the InChIKey of 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride?
The InChIKey is DLLIHRZNVKDCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-14(2,3)13(19)16-8-5-6-12(18)17(4)11-7-9-15-10-11;/h11,15H,5-10H2,1-4H3,(H,16,19);1H.
What are the key properties of 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride?
2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride is sourced from PubChem (CID 119552565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).