N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide

C15H30N2O2 — CID 106980479

IUPACN-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H30N2O2/c1-5-13(6-2)17(9-10-18)14(19)15(12(3)4)7-8-16-11-15/h12-13,16,18H,5-11H2,1-4H3
InChIKeyAIZCKYYNSDFHNR-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.63
Rot. Bonds7

About N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980479) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980479
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C15H30N2O2/c1-5-13(6-2)17(9-10-18)14(19)15(12(3)4)7-8-16-11-15/h12-13,16,18H,5-11H2,1-4H3
InChIKeyAIZCKYYNSDFHNR-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980166
3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980309
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpiperidine-2-carboxamide
CID 104596688
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980192
3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980310
3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980154
2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 106980822
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980479) is N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide is CCC(CC)N(CCO)C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AIZCKYYNSDFHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-13(6-2)17(9-10-18)14(19)15(12(3)4)7-8-16-11-15/h12-13,16,18H,5-11H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).