N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide

C19H20N2O4 — CID 124614944

IUPACN-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
SMILESO=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(O)cc1O
InChIInChI=1S/C19H20N2O4/c22-15-6-7-16(17(23)9-15)19(25)20-10-14-8-18(24)21(12-14)11-13-4-2-1-3-5-13/h1-7,9,14,22-23H,8,10-12H2,(H,20,25)/t14-/m1/s1
InChIKeySVURPKOIWXMTJA-CQSZACIVSA-N
MW340.38 g/mol
LogP1.88
Rot. Bonds5

About N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide

N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide (PubChem CID 124614944) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
PubChem CID124614944
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
SMILESO=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(O)cc1O
InChIInChI=1S/C19H20N2O4/c22-15-6-7-16(17(23)9-15)19(25)20-10-14-8-18(24)21(12-14)11-13-4-2-1-3-5-13/h1-7,9,14,22-23H,8,10-12H2,(H,20,25)/t14-/m1/s1
InChIKeySVURPKOIWXMTJA-CQSZACIVSA-N
XLogP1.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,4-dimethoxybenzamide
CID 16919286
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 167537285
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 97060537
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide (CID 124614944) is N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide is O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(O)cc1O.
What is the InChIKey of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide?
The InChIKey is SVURPKOIWXMTJA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-15-6-7-16(17(23)9-15)19(25)20-10-14-8-18(24)21(12-14)11-13-4-2-1-3-5-13/h1-7,9,14,22-23H,8,10-12H2,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide?
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 124614944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).