N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide

C11H22N2O2 — CID 116656284

IUPACN-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
SMILESCCCC(COC)NC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-6-10(9-15-2)12-11(14)13-7-4-5-8-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyFZSQYTJZUGPSBX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds5

About N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide

N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 116656284) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
PubChem CID116656284
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide
SMILESCCCC(COC)NC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-3-6-10(9-15-2)12-11(14)13-7-4-5-8-13/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyFZSQYTJZUGPSBX-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxypentan-2-yl)morpholine-4-carboxamide
CID 116656280
1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104598283
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122002874
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746
2-hydroxy-N-(1-methoxypentan-2-yl)-2-methylpropanamide
CID 103430087

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide (CID 116656284) is N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide is CCCC(COC)NC(=O)N1CCCC1.
What is the InChIKey of N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is FZSQYTJZUGPSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-10(9-15-2)12-11(14)13-7-4-5-8-13/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide?
N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 116656284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).