N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide

C18H24N2O4 — CID 67876043

IUPACN-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2
InChIInChI=1S/C18H24N2O4/c1-11(21)19-10-12-6-7-14-13(9-12)16(17(23)18(2,3)24-14)20-8-4-5-15(20)22/h6-7,9,16-17,23H,4-5,8,10H2,1-3H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyBQYIEDNAFJMUIJ-SJORKVTESA-N
MW332.40 g/mol
LogP1.52
Rot. Bonds3

About N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide

N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide (PubChem CID 67876043) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide
PubChem CID67876043
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2
InChIInChI=1S/C18H24N2O4/c1-11(21)19-10-12-6-7-14-13(9-12)16(17(23)18(2,3)24-14)20-8-4-5-15(20)22/h6-7,9,16-17,23H,4-5,8,10H2,1-3H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyBQYIEDNAFJMUIJ-SJORKVTESA-N
XLogP1.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide (CID 67876043) is N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide is CC(=O)NCc1ccc2c(c1)[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2.
What is the InChIKey of N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide?
The InChIKey is BQYIEDNAFJMUIJ-SJORKVTESA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11(21)19-10-12-6-7-14-13(9-12)16(17(23)18(2,3)24-14)20-8-4-5-15(20)22/h6-7,9,16-17,23H,4-5,8,10H2,1-3H3,(H,19,21)/t16-,17+/m1/s1.
What are the key properties of N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide?
N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide is sourced from PubChem (CID 67876043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).