N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide

C13H26N2O — CID 95571619

IUPACN-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-5-8-12(4-2)11-14-13(16)15-9-6-7-10-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyRZFREZPVGQLZKG-GFCCVEGCSA-N
MW226.36 g/mol
LogP3.01
Rot. Bonds6

About N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide

N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide (PubChem CID 95571619) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
PubChem CID95571619
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-5-8-12(4-2)11-14-13(16)15-9-6-7-10-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyRZFREZPVGQLZKG-GFCCVEGCSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343
(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
CID 97027498
N-(2-ethylhexyl)-3-hydroxypiperidine-1-carboxamide
CID 71943752
N-[2-(2-aminoethyl)pentyl]piperidine-1-carboxamide
CID 106116294
N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide
CID 106116291
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-[(azepane-1-carbonylamino)methyl]pentanoic acid
CID 65217882
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
4-(2-ethylhexylcarbamoyl)morpholine-3-carboxylic acid
CID 103995566
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide (CID 95571619) is N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide is CCCC[C@@H](CC)CNC(=O)N1CCCC1.
What is the InChIKey of N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide?
The InChIKey is RZFREZPVGQLZKG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-8-12(4-2)11-14-13(16)15-9-6-7-10-15/h12H,3-11H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide?
N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95571619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).