2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide

C12H23N3O2 — CID 61365863

IUPAC2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)CC1CCCN1
InChIInChI=1S/C12H23N3O2/c1-9(2)12(17)15-7-6-14-11(16)8-10-4-3-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyYZSJHMXCRSWRKL-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds6

About 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide

2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide (PubChem CID 61365863) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
PubChem CID61365863
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)CC1CCCN1
InChIInChI=1S/C12H23N3O2/c1-9(2)12(17)15-7-6-14-11(16)8-10-4-3-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyYZSJHMXCRSWRKL-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119874434
N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
CID 115740896
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
N-(2,3-dimethylbutyl)-2-piperidin-2-ylacetamide
CID 64599334
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
N-(2-methylsulfinylethyl)-2-pyrrolidin-2-ylacetamide
CID 115739238
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
N-[3-(2-methylpropoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119693624
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide (CID 61365863) is 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide is CC(C)C(=O)NCCNC(=O)CC1CCCN1.
What is the InChIKey of 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide?
The InChIKey is YZSJHMXCRSWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)12(17)15-7-6-14-11(16)8-10-4-3-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide?
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide is sourced from PubChem (CID 61365863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).