2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide

C15H22N2O3 — CID 95616399

IUPAC2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
SMILESCOCCN1CC[C@H](NC(=O)c2cc(C)ccc2O)C1
InChIInChI=1S/C15H22N2O3/c1-11-3-4-14(18)13(9-11)15(19)16-12-5-6-17(10-12)7-8-20-2/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyIOVXOKRHRBBIRZ-LBPRGKRZSA-N
MW278.35 g/mol
LogP1.15
Rot. Bonds5

About 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide

2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide (PubChem CID 95616399) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
PubChem CID95616399
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
SMILESCOCCN1CC[C@H](NC(=O)c2cc(C)ccc2O)C1
InChIInChI=1S/C15H22N2O3/c1-11-3-4-14(18)13(9-11)15(19)16-12-5-6-17(10-12)7-8-20-2/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyIOVXOKRHRBBIRZ-LBPRGKRZSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
2-chloro-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-nitrobenzamide
CID 95623046
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
N-[4-(ethylamino)cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 43653300
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide
CID 154739599

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide (CID 95616399) is 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide is COCCN1CC[C@H](NC(=O)c2cc(C)ccc2O)C1.
What is the InChIKey of 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide?
The InChIKey is IOVXOKRHRBBIRZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-3-4-14(18)13(9-11)15(19)16-12-5-6-17(10-12)7-8-20-2/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide?
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide is sourced from PubChem (CID 95616399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).