ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C14H30N2O2 — CID 164556104

IUPACethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC.CC(C)CNC(=O)N1CCC(C(C)(C)O)C1
InChIInChI=1S/C12H24N2O2.C2H6/c1-9(2)7-13-11(15)14-6-5-10(8-14)12(3,4)16;1-2/h9-10,16H,5-8H2,1-4H3,(H,13,15);1-2H3
InChIKeyAPBSMAOKVJFROZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.47
Rot. Bonds3

About ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 164556104) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Nameethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID164556104
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC.CC(C)CNC(=O)N1CCC(C(C)(C)O)C1
InChIInChI=1S/C12H24N2O2.C2H6/c1-9(2)7-13-11(15)14-6-5-10(8-14)12(3,4)16;1-2/h9-10,16H,5-8H2,1-4H3,(H,13,15);1-2H3
InChIKeyAPBSMAOKVJFROZ-UHFFFAOYSA-N
XLogP2.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 165439664
4-amino-N-(2-methylpropyl)-5-(trifluoromethyl)azepane-1-carboxamide
CID 165487439
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
CID 94648216
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
4-tert-butyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 113236850
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 164556104) is ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is CC.CC(C)CNC(=O)N1CCC(C(C)(C)O)C1.
What is the InChIKey of ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is APBSMAOKVJFROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-9(2)7-13-11(15)14-6-5-10(8-14)12(3,4)16;1-2/h9-10,16H,5-8H2,1-4H3,(H,13,15);1-2H3.
What are the key properties of ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 258.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-hydroxypropan-2-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164556104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).