1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide

C20H40N4O2 — CID 139573947

IUPAC1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(C)(C)CCC(O)NC2CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C20H40N4O2/c1-19(2,3)23-12-9-16(14-23)22-17(25)7-10-20(4,5)24-11-8-15(13-24)18(26)21-6/h15-17,22,25H,7-14H2,1-6H3,(H,21,26)
InChIKeyAUSNEIRHXPSHSU-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.39
Rot. Bonds7

About 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide

1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 139573947) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID139573947
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(C)(C)CCC(O)NC2CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C20H40N4O2/c1-19(2,3)23-12-9-16(14-23)22-17(25)7-10-20(4,5)24-11-8-15(13-24)18(26)21-6/h15-17,22,25H,7-14H2,1-6H3,(H,21,26)
InChIKeyAUSNEIRHXPSHSU-UHFFFAOYSA-N
XLogP1.39
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
CID 67293974
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
N-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-3-carboxamide
CID 103944365
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
CID 146256240
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide (CID 139573947) is 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(C(C)(C)CCC(O)NC2CCN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is AUSNEIRHXPSHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-19(2,3)23-12-9-16(14-23)22-17(25)7-10-20(4,5)24-11-8-15(13-24)18(26)21-6/h15-17,22,25H,7-14H2,1-6H3,(H,21,26).
What are the key properties of 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide?
1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 368.57 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 139573947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).