(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide

C18H24N2O3 — CID 95197275

IUPAC(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide
SMILESCc1cc(C)c2c(CC(=O)N[C@H](C)C(=O)N(C)C)coc2c1C
InChIInChI=1S/C18H24N2O3/c1-10-7-11(2)16-14(9-23-17(16)12(10)3)8-15(21)19-13(4)18(22)20(5)6/h7,9,13H,8H2,1-6H3,(H,19,21)/t13-/m1/s1
InChIKeyLSAFSTQSIZLKJI-CYBMUJFWSA-N
MW316.40 g/mol
LogP2.49
Rot. Bonds4

About (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide

(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide (PubChem CID 95197275) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide
PubChem CID95197275
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide
SMILESCc1cc(C)c2c(CC(=O)N[C@H](C)C(=O)N(C)C)coc2c1C
InChIInChI=1S/C18H24N2O3/c1-10-7-11(2)16-14(9-23-17(16)12(10)3)8-15(21)19-13(4)18(22)20(5)6/h7,9,13H,8H2,1-6H3,(H,19,21)/t13-/m1/s1
InChIKeyLSAFSTQSIZLKJI-CYBMUJFWSA-N
XLogP2.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide (CID 95197275) is (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide is Cc1cc(C)c2c(CC(=O)N[C@H](C)C(=O)N(C)C)coc2c1C.
What is the InChIKey of (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide?
The InChIKey is LSAFSTQSIZLKJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-10-7-11(2)16-14(9-23-17(16)12(10)3)8-15(21)19-13(4)18(22)20(5)6/h7,9,13H,8H2,1-6H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide?
(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 95197275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).