N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide

C20H41N5O — CID 126565337

IUPACN-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(C)(C)CN2CCNCCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C20H41N5O/c1-17(26)22-18-7-10-25(15-18)20(5,6)16-23-11-8-21-9-12-24(14-13-23)19(2,3)4/h18,21H,7-16H2,1-6H3,(H,22,26)/t18-/m1/s1
InChIKeyAOPCJYZRBZAVED-GOSISDBHSA-N
MW367.58 g/mol
LogP0.98
Rot. Bonds4

About N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide (PubChem CID 126565337) has the molecular formula C20H41N5O and a molecular weight of 367.58 g/mol. Its IUPAC name is N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide
PubChem CID126565337
Molecular FormulaC20H41N5O
Molecular Weight367.58 g/mol
Exact Mass367.33
IUPAC NameN-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(C)(C)CN2CCNCCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C20H41N5O/c1-17(26)22-18-7-10-25(15-18)20(5,6)16-23-11-8-21-9-12-24(14-13-23)19(2,3)4/h18,21H,7-16H2,1-6H3,(H,22,26)/t18-/m1/s1
InChIKeyAOPCJYZRBZAVED-GOSISDBHSA-N
XLogP0.98
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.58
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
CID 58182173
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
N-[1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidin-3-yl]acetamide
CID 80547621
N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide
CID 144757888
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane
CID 144757887
N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 114628005
1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine
CID 80551089
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
methyl 3-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79621520

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide (CID 126565337) is N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(C(C)(C)CN2CCNCCN(C(C)(C)C)CC2)C1.
What is the InChIKey of N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is AOPCJYZRBZAVED-GOSISDBHSA-N. The full InChI is InChI=1S/C20H41N5O/c1-17(26)22-18-7-10-25(15-18)20(5,6)16-23-11-8-21-9-12-24(14-13-23)19(2,3)4/h18,21H,7-16H2,1-6H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 367.58 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126565337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).