N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide

C14H29N3O — CID 83079627

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)CN(C)C)CCCN1
InChIInChI=1S/C14H29N3O/c1-6-14(8-7-9-16-14)12(18)15-10-13(2,3)11-17(4)5/h16H,6-11H2,1-5H3,(H,15,18)
InChIKeyDIRPDHUJQZNZKW-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83079627) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83079627
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)CN(C)C)CCCN1
InChIInChI=1S/C14H29N3O/c1-6-14(8-7-9-16-14)12(18)15-10-13(2,3)11-17(4)5/h16H,6-11H2,1-5H3,(H,15,18)
InChIKeyDIRPDHUJQZNZKW-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 83063608
N-[2-(dimethylsulfamoyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 106337546
N-(5-hydroxy-2,2-dimethylpentyl)-2-propylpyrrolidine-2-carboxamide
CID 106148123
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
CID 114009242
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 83072304
2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83073298
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
2-ethyl-N-ethylsulfonylpyrrolidine-2-carboxamide
CID 103307069

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide (CID 83079627) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCC(C)(C)CN(C)C)CCCN1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is DIRPDHUJQZNZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-14(8-7-9-16-14)12(18)15-10-13(2,3)11-17(4)5/h16H,6-11H2,1-5H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83079627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).