(2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide

C17H25N3O4 — CID 94397689

IUPAC(2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCO[C@@H](C(N)=O)C1
InChIInChI=1S/C17H25N3O4/c1-10-6-11-12(7-17(2,3)8-13(11)24-10)19-16(22)20-4-5-23-14(9-20)15(18)21/h6,12,14H,4-5,7-9H2,1-3H3,(H2,18,21)(H,19,22)/t12-,14+/m0/s1
InChIKeyDTBTYONWUABXLB-GXTWGEPZSA-N
MW335.40 g/mol
LogP1.50
Rot. Bonds2

About (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide

(2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide (PubChem CID 94397689) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide
PubChem CID94397689
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide
SMILESCc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCO[C@@H](C(N)=O)C1
InChIInChI=1S/C17H25N3O4/c1-10-6-11-12(7-17(2,3)8-13(11)24-10)19-16(22)20-4-5-23-14(9-20)15(18)21/h6,12,14H,4-5,7-9H2,1-3H3,(H2,18,21)(H,19,22)/t12-,14+/m0/s1
InChIKeyDTBTYONWUABXLB-GXTWGEPZSA-N
XLogP1.50
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]pyrrolidine-1,3-dicarboxamide
CID 94118955
3-(hydroxymethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidine-1-carboxamide
CID 111443717
4-benzoyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-1-carboxamide
CID 55809321
5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 82013757
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
4-(1,3-thiazol-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-1,4-diazepane-1-carboxamide
CID 48509988
2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43713733
3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43701687
4-bromo-2,5-dimethyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 55782819
1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine
CID 62977089

Frequently Asked Questions

What is the IUPAC name of (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide?
The IUPAC name of (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide (CID 94397689) is (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide?
The canonical SMILES for (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide is Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCO[C@@H](C(N)=O)C1.
What is the InChIKey of (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide?
The InChIKey is DTBTYONWUABXLB-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-10-6-11-12(7-17(2,3)8-13(11)24-10)19-16(22)20-4-5-23-14(9-20)15(18)21/h6,12,14H,4-5,7-9H2,1-3H3,(H2,18,21)(H,19,22)/t12-,14+/m0/s1.
What are the key properties of (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide?
(2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 94397689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).