N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide

C13H26N2O2 — CID 114277114

IUPACN-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CC(C)(C)C)OC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-6-13(7-8-14-9-13)11(16)15(17-5)10-12(2,3)4/h14H,6-10H2,1-5H3
InChIKeyWKNSCQJBNZEQHB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.81
Rot. Bonds4

About N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide

N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide (PubChem CID 114277114) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide
PubChem CID114277114
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CC(C)(C)C)OC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-6-13(7-8-14-9-13)11(16)15(17-5)10-12(2,3)4/h14H,6-10H2,1-5H3
InChIKeyWKNSCQJBNZEQHB-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885
N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide
CID 63692883
3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 55167066
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
N-[3-(dimethylamino)propyl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63143867
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
CID 112659335
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120624655
N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 63143750

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide (CID 114277114) is N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide is CCC1(C(=O)N(CC(C)(C)C)OC)CCNC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide?
The InChIKey is WKNSCQJBNZEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-13(7-8-14-9-13)11(16)15(17-5)10-12(2,3)4/h14H,6-10H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide?
N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-ethyl-N-methoxypyrrolidine-3-carboxamide is sourced from PubChem (CID 114277114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).