N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide

C19H28N2O2 — CID 128967180

IUPACN-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(CC1CCCN1CC(O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C19H28N2O2/c1-14-5-7-16(8-6-14)19(23)13-20-11-3-4-18(20)12-21(15(2)22)17-9-10-17/h5-8,17-19,23H,3-4,9-13H2,1-2H3
InChIKeyCABNXGGOCJTOCW-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.50
Rot. Bonds6

About N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 128967180) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID128967180
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(CC1CCCN1CC(O)c1ccc(C)cc1)C1CC1
InChIInChI=1S/C19H28N2O2/c1-14-5-7-16(8-6-14)19(23)13-20-11-3-4-18(20)12-21(15(2)22)17-9-10-17/h5-8,17-19,23H,3-4,9-13H2,1-2H3
InChIKeyCABNXGGOCJTOCW-UHFFFAOYSA-N
XLogP2.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[[1-(2-hydroxy-3-phenylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 128968185
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129478609
N-cyclopropyl-N-[[1-[(2R)-2-hydroxybutyl]pyrrolidin-2-yl]methyl]acetamide
CID 129000680
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129343926
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-hydroxyethyl]benzonitrile
CID 62886101
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
N-cyclopropyl-N-[[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474004
N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474418
N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129330987
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 129007838
N-cyclopropyl-N-[[(2R)-1-[2-(ethylsulfonylamino)ethyl]pyrrolidin-2-yl]methyl]acetamide
CID 129330745

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide (CID 128967180) is N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(CC1CCCN1CC(O)c1ccc(C)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is CABNXGGOCJTOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-5-7-16(8-6-14)19(23)13-20-11-3-4-18(20)12-21(15(2)22)17-9-10-17/h5-8,17-19,23H,3-4,9-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 128967180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).