2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

C16H24N2O3 — CID 110921460

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C16H24N2O3/c1-21-12-14-6-4-13(5-7-14)9-17-16(20)10-18-8-2-3-15(18)11-19/h4-7,15,19H,2-3,8-12H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyXMKRAJFQEVGXFO-OAHLLOKOSA-N
MW292.38 g/mol
LogP0.91
Rot. Bonds7

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 110921460) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID110921460
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C16H24N2O3/c1-21-12-14-6-4-13(5-7-14)9-17-16(20)10-18-8-2-3-15(18)11-19/h4-7,15,19H,2-3,8-12H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyXMKRAJFQEVGXFO-OAHLLOKOSA-N
XLogP0.91
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 110898937
(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910385
1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908548
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921510
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
CID 72687729
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921406

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (CID 110921460) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccc(CNC(=O)CN2CCC[C@@H]2CO)cc1.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is XMKRAJFQEVGXFO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-12-14-6-4-13(5-7-14)9-17-16(20)10-18-8-2-3-15(18)11-19/h4-7,15,19H,2-3,8-12H2,1H3,(H,17,20)/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 110921460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).