3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide

C15H30N2O — CID 102905966

IUPAC3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC(C(C)C)C(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-6-15(7-8-16-10-15)14(18)17-9-13(11(2)3)12(4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyOYIZBQZXUGLHOT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.42
Rot. Bonds6

About 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide

3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide (PubChem CID 102905966) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
PubChem CID102905966
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC(C(C)C)C(C)C)CCNC1
InChIInChI=1S/C15H30N2O/c1-6-15(7-8-16-10-15)14(18)17-9-13(11(2)3)12(4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyOYIZBQZXUGLHOT-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
CID 106116627
3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
CID 106134765
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
(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
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide (CID 102905966) is 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCC(C(C)C)C(C)C)CCNC1.
What is the InChIKey of 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is OYIZBQZXUGLHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-15(7-8-16-10-15)14(18)17-9-13(11(2)3)12(4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 102905966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).