N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide

C13H26N2O — CID 63843859

IUPACN-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CNCC1C
InChIInChI=1S/C13H26N2O/c1-5-11(6-2)10(4)15-13(16)12-8-14-7-9(12)3/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyKODVXUBWTSQSFJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide

N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63843859) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63843859
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESCCC(CC)C(C)NC(=O)C1CNCC1C
InChIInChI=1S/C13H26N2O/c1-5-11(6-2)10(4)15-13(16)12-8-14-7-9(12)3/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyKODVXUBWTSQSFJ-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide (CID 63843859) is N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide is CCC(CC)C(C)NC(=O)C1CNCC1C.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is KODVXUBWTSQSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-11(6-2)10(4)15-13(16)12-8-14-7-9(12)3/h9-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide?
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63843859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).