(8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C23H27N3O2 — CID 15602799

IUPAC(8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCCc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C23H27N3O2/c1-6-15-9-7-8-10-16(15)20-12-11-17-18(23(27)25(3)4)13-19-21(22(17)28-20)24-14(2)26(19)5/h7-10,13,20H,6,11-12H2,1-5H3/t20-/m0/s1
InChIKeyYGAQRPQJHWAPQJ-FQEVSTJZSA-N
MW377.49 g/mol
LogP4.21
Rot. Bonds3

About (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

(8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15602799) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15602799
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCCc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C23H27N3O2/c1-6-15-9-7-8-10-16(15)20-12-11-17-18(23(27)25(3)4)13-19-21(22(17)28-20)24-14(2)26(19)5/h7-10,13,20H,6,11-12H2,1-5H3/t20-/m0/s1
InChIKeyYGAQRPQJHWAPQJ-FQEVSTJZSA-N
XLogP4.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15602799) is (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is CCc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is YGAQRPQJHWAPQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-6-15-9-7-8-10-16(15)20-12-11-17-18(23(27)25(3)4)13-19-21(22(17)28-20)24-14(2)26(19)5/h7-10,13,20H,6,11-12H2,1-5H3/t20-/m0/s1.
What are the key properties of (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(2-ethylphenyl)-N,N,2,3-tetramethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15602799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).