N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide

C13H26N2O2 — CID 106975300

IUPACN-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(CC)COC)CCCN1
InChIInChI=1S/C13H26N2O2/c1-4-7-13(8-6-9-14-13)12(16)15-11(5-2)10-17-3/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyJKEWPRIWCLHLKI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds7

About N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide

N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975300) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106975300
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(CC)COC)CCCN1
InChIInChI=1S/C13H26N2O2/c1-4-7-13(8-6-9-14-13)12(16)15-11(5-2)10-17-3/h11,14H,4-10H2,1-3H3,(H,15,16)
InChIKeyJKEWPRIWCLHLKI-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975744
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974844
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317
methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975742
N-(2-amino-2-oxoethoxy)-2-propylpyrrolidine-2-carboxamide
CID 106975717
2-ethyl-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 83071549
2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid
CID 106975363
2-(2-methoxyethoxy)ethyl 2-propylpyrrolidine-2-carboxylate
CID 106978134
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide (CID 106975300) is N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC(CC)COC)CCCN1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is JKEWPRIWCLHLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-7-13(8-6-9-14-13)12(16)15-11(5-2)10-17-3/h11,14H,4-10H2,1-3H3,(H,15,16).
What are the key properties of N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide?
N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).