N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide

C19H35N3O2 — CID 71991296

IUPACN-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H35N3O2/c1-14(2)18(20-15-8-11-24-12-9-15)19(23)21-16-7-10-22(13-16)17-5-3-4-6-17/h14-18,20H,3-13H2,1-2H3,(H,21,23)
InChIKeyFBXRACCNJCCJQQ-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.91
Rot. Bonds6

About N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide

N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide (PubChem CID 71991296) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide.

Molecular Properties

Compound NameN-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
PubChem CID71991296
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H35N3O2/c1-14(2)18(20-15-8-11-24-12-9-15)19(23)21-16-7-10-22(13-16)17-5-3-4-6-17/h14-18,20H,3-13H2,1-2H3,(H,21,23)
InChIKeyFBXRACCNJCCJQQ-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 91922998
Cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
CID 71917578
N-(5-oxo-1-propylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide formate
CID 131911120
(2S)-N-[(1S)-2-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 70943075
(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 70986151
(2S)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 70986574
(2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 141114853
N-[2-(oxan-4-yl)ethyl]-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 144023072
2-(Oxan-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43610197
N-methyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 43611071
1-Cyclopentyl-3-(oxan-4-ylamino)pyrrolidine-2,5-dione
CID 43637657
N-methyl-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 53410896

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The IUPAC name of N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide (CID 71991296) is N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide.
What is the SMILES notation for N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The canonical SMILES for N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide is CC(C)C(NC1CCOCC1)C(=O)NC1CCN(C2CCCC2)C1.
What is the InChIKey of N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
The InChIKey is FBXRACCNJCCJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-14(2)18(20-15-8-11-24-12-9-15)19(23)21-16-7-10-22(13-16)17-5-3-4-6-17/h14-18,20H,3-13H2,1-2H3,(H,21,23).
What are the key properties of N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide?
N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide has a molecular weight of 337.51 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide is sourced from PubChem (CID 71991296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).