(3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H27N3O4 — CID 124753007

IUPAC(3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(O)cc3)C2)CCOCC1
InChIInChI=1S/C19H27N3O4/c1-21(2)19(7-9-26-10-8-19)13-20-18(25)14-11-17(24)22(12-14)15-3-5-16(23)6-4-15/h3-6,14,23H,7-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyLBNDNBOQTFJMMU-AWEZNQCLSA-N
MW361.44 g/mol
LogP0.97
Rot. Bonds5

About (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124753007) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124753007
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(O)cc3)C2)CCOCC1
InChIInChI=1S/C19H27N3O4/c1-21(2)19(7-9-26-10-8-19)13-20-18(25)14-11-17(24)22(12-14)15-3-5-16(23)6-4-15/h3-6,14,23H,7-13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyLBNDNBOQTFJMMU-AWEZNQCLSA-N
XLogP0.97
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541559
4-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541807
2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3159237
(3S)-1-(4-fluorophenyl)-5-oxo-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 51895433
(3R)-1-(4-methylphenyl)-5-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 51895445
4-[[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542007
(3S)-N-[(1,1-dioxothian-4-yl)methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124753391
(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 41468767
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
1-(4-hydroxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 74240649

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 124753007) is (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is CN(C)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(O)cc3)C2)CCOCC1.
What is the InChIKey of (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LBNDNBOQTFJMMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-21(2)19(7-9-26-10-8-19)13-20-18(25)14-11-17(24)22(12-14)15-3-5-16(23)6-4-15/h3-6,14,23H,7-13H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124753007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).