N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide

C12H23N3O2 — CID 119748283

IUPACN,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
SMILESCN(C)C(=O)CCCNC(=O)CC1CCCN1
InChIInChI=1S/C12H23N3O2/c1-15(2)12(17)6-4-8-14-11(16)9-10-5-3-7-13-10/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyYHWVILNTAKSVRG-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds6

About N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide

N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide (PubChem CID 119748283) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
PubChem CID119748283
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
SMILESCN(C)C(=O)CCCNC(=O)CC1CCCN1
InChIInChI=1S/C12H23N3O2/c1-15(2)12(17)6-4-8-14-11(16)9-10-5-3-7-13-10/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyYHWVILNTAKSVRG-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
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,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119731272
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119728947
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
N-cyclopropyl-4-[(2-piperidin-2-ylacetyl)amino]butanamide
CID 79400638
N-[2-(dimethylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 106337483
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide?
The IUPAC name of N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide (CID 119748283) is N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide is CN(C)C(=O)CCCNC(=O)CC1CCCN1.
What is the InChIKey of N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide?
The InChIKey is YHWVILNTAKSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15(2)12(17)6-4-8-14-11(16)9-10-5-3-7-13-10/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide?
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 119748283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).