4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

C19H28N2O3 — CID 154854972

IUPAC4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESCc1cc(O)c(C(C)C)cc1C(=O)N[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-12(2)14-9-15(13(3)8-18(14)22)19(23)20-16-10-24-11-17(16)21-6-4-5-7-21/h8-9,12,16-17,22H,4-7,10-11H2,1-3H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyCKCUBXAYTVVRNX-IAGOWNOFSA-N
MW332.44 g/mol
LogP2.42
Rot. Bonds4

About 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide

4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (PubChem CID 154854972) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
PubChem CID154854972
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
SMILESCc1cc(O)c(C(C)C)cc1C(=O)N[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-12(2)14-9-15(13(3)8-18(14)22)19(23)20-16-10-24-11-17(16)21-6-4-5-7-21/h8-9,12,16-17,22H,4-7,10-11H2,1-3H3,(H,20,23)/t16-,17-/m1/s1
InChIKeyCKCUBXAYTVVRNX-IAGOWNOFSA-N
XLogP2.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
5-hydroxy-1,2-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]indole-3-carboxamide
CID 91841298
2-amino-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidine-4-carboxamide
CID 118778494
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
CID 118788686
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
2,6-dimethyl-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]pyridine-3-carboxamide
CID 122571640
formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
CID 154911071
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-2-carboxamide
CID 91841039
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119072347

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The IUPAC name of 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide (CID 154854972) is 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is Cc1cc(O)c(C(C)C)cc1C(=O)N[C@@H]1COC[C@H]1N1CCCC1.
What is the InChIKey of 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
The InChIKey is CKCUBXAYTVVRNX-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)14-9-15(13(3)8-18(14)22)19(23)20-16-10-24-11-17(16)21-6-4-5-7-21/h8-9,12,16-17,22H,4-7,10-11H2,1-3H3,(H,20,23)/t16-,17-/m1/s1.
What are the key properties of 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide?
4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-propan-2-yl-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]benzamide is sourced from PubChem (CID 154854972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).