3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide

C13H26N2O — CID 63142124

IUPAC3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
SMILESCCCC(CC)NC(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O/c1-4-7-11(5-2)15-12(16)13(6-3)8-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyIBLJMSFFECDYJE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds6

About 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide

3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide (PubChem CID 63142124) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
PubChem CID63142124
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
SMILESCCCC(CC)NC(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O/c1-4-7-11(5-2)15-12(16)13(6-3)8-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyIBLJMSFFECDYJE-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
4-ethyl-N-octan-4-ylpiperidine-4-carboxamide
CID 106025848
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
N-hexan-3-yl-3-methylpiperidine-3-carboxamide
CID 63134940
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
CID 106116627
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide
CID 63142451
N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 114113787
N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
CID 106230204

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide (CID 63142124) is 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide is CCCC(CC)NC(=O)C1(CC)CCNC1.
What is the InChIKey of 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is IBLJMSFFECDYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-11(5-2)15-12(16)13(6-3)8-9-14-10-13/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide?
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).