N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide

C13H24N2O3 — CID 138014357

IUPACN-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)NC2CC(OC)(OC)C2)C1
InChIInChI=1S/C13H24N2O3/c1-4-10-5-6-15(9-10)12(16)14-11-7-13(8-11,17-2)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyVUNGOEKZJUROHD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.58
Rot. Bonds4

About N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide

N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide (PubChem CID 138014357) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide
PubChem CID138014357
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)NC2CC(OC)(OC)C2)C1
InChIInChI=1S/C13H24N2O3/c1-4-10-5-6-15(9-10)12(16)14-11-7-13(8-11,17-2)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyVUNGOEKZJUROHD-UHFFFAOYSA-N
XLogP1.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115686899
4-ethyl-N-(oxan-4-yl)piperidine-1-carboxamide
CID 128942089
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate
CID 138015528
methylaminomethyl 3-ethylpyrrolidine-1-carboxylate
CID 171073093
3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
CID 134471128

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide (CID 138014357) is N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide is CCC1CCN(C(=O)NC2CC(OC)(OC)C2)C1.
What is the InChIKey of N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide?
The InChIKey is VUNGOEKZJUROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10-5-6-15(9-10)12(16)14-11-7-13(8-11,17-2)18-3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide?
N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethoxycyclobutyl)-3-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138014357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).