2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide

C24H32N2O3 — CID 19439910

IUPAC2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide
SMILESCC(C)C(CN(C)C(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCC1O
InChIInChI=1S/C24H32N2O3/c1-18(2)21(26-16-10-15-22(26)27)17-25(3)23(28)24(29,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21-22,27,29H,10,15-17H2,1-3H3
InChIKeyJXSLPIVCBDPWCN-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.82
Rot. Bonds7

About 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide

2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide (PubChem CID 19439910) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide
PubChem CID19439910
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide
SMILESCC(C)C(CN(C)C(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCC1O
InChIInChI=1S/C24H32N2O3/c1-18(2)21(26-16-10-15-22(26)27)17-25(3)23(28)24(29,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21-22,27,29H,10,15-17H2,1-3H3
InChIKeyJXSLPIVCBDPWCN-UHFFFAOYSA-N
XLogP2.82
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-hydroxy-N-methyl-2,2-diphenylacetamide
CID 110901041
2,2-bis(4-fluorophenyl)-N-[2-(2-hydroxypyrrolidin-1-yl)-4-methylpentyl]-N-methylpropanamide
CID 19439997
(2S)-1-[(2S)-1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl]pyrrolidine-2-carboxamide
CID 156588051
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 79309724
3-hydroxy-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-3-phenylbutan-1-one
CID 110026114
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide;(Z)-but-2-enedioic acid
CID 11641003
(2S)-N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-N-methyl-2-(4-methylphenyl)-2-phenylacetamide
CID 11360090
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62272318
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840
2-phenylpropan-2-yl 2-cyclohexyl-3-methylbutanoate
CID 23516255

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide (CID 19439910) is 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide is CC(C)C(CN(C)C(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCC1O.
What is the InChIKey of 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is JXSLPIVCBDPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18(2)21(26-16-10-15-22(26)27)17-25(3)23(28)24(29,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21-22,27,29H,10,15-17H2,1-3H3.
What are the key properties of 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide?
2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 396.53 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(2-hydroxypyrrolidin-1-yl)-3-methylbutyl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 19439910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).