N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide

C12H24N2O3 — CID 106974916

IUPACN-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCC(OC)OC)CCCN1
InChIInChI=1S/C12H24N2O3/c1-4-6-12(7-5-8-14-12)11(15)13-9-10(16-2)17-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyKYDDYCRJZILQIR-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.64
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide

N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974916) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974916
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCC(OC)OC)CCCN1
InChIInChI=1S/C12H24N2O3/c1-4-6-12(7-5-8-14-12)11(15)13-9-10(16-2)17-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyKYDDYCRJZILQIR-UHFFFAOYSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
CID 83072007
N-[2-(2,2-difluoroethoxy)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 105910445
2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
CID 106975249
N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 114127404
(2S)-N-[(2S)-1,1-diethoxy-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 140342703
Ethane;(2-ethyl-1-methylpyrrolidin-1-ium-2-yl)-(2-propoxymorpholin-4-yl)methanone
CID 176987543
2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide
CID 176987557
2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide
CID 176987583
1-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
CID 39058444
1-amino-N-(2,2-dimethoxyethyl)cyclopentane-1-carboxamide
CID 61274919
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
2-amino-N-(2,2-dimethoxyethyl)-2-methylpentanamide
CID 61275088

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide (CID 106974916) is N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCC(OC)OC)CCCN1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is KYDDYCRJZILQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-6-12(7-5-8-14-12)11(15)13-9-10(16-2)17-3/h10,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide?
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).