N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide

C20H24N2O3 — CID 97069938

IUPACN-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(O)c1
InChIInChI=1S/C20H24N2O3/c1-14-7-8-18(19(24)9-14)20(25)21-11-16-10-17(23)13-22(16)12-15-5-3-2-4-6-15/h2-9,16-17,23-24H,10-13H2,1H3,(H,21,25)/t16-,17-/m0/s1
InChIKeyMHMMKCGWZFDACR-IRXDYDNUSA-N
MW340.42 g/mol
LogP2.07
Rot. Bonds5

About N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide

N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide (PubChem CID 97069938) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
PubChem CID97069938
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(O)c1
InChIInChI=1S/C20H24N2O3/c1-14-7-8-18(19(24)9-14)20(25)21-11-16-10-17(23)13-22(16)12-15-5-3-2-4-6-15/h2-9,16-17,23-24H,10-13H2,1H3,(H,21,25)/t16-,17-/m0/s1
InChIKeyMHMMKCGWZFDACR-IRXDYDNUSA-N
XLogP2.07
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110028208
N-[[(2R,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-fluoro-6-hydroxybenzamide
CID 99822735
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
CID 110012487
(2S)-1-benzyl-4-(2-hydroxy-4-methylbenzoyl)piperazine-2-carbonitrile
CID 95967687
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128574882
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 124840859
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
CID 124614944

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide (CID 97069938) is N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c(O)c1.
What is the InChIKey of N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is MHMMKCGWZFDACR-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-7-8-18(19(24)9-14)20(25)21-11-16-10-17(23)13-22(16)12-15-5-3-2-4-6-15/h2-9,16-17,23-24H,10-13H2,1H3,(H,21,25)/t16-,17-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide?
N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 97069938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).