(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C18H25NO2 — CID 30824030

IUPAC(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESC[C@H]1Oc2c(C(=O)NCC3CCCCC3)cccc2[C@@H]1C
InChIInChI=1S/C18H25NO2/c1-12-13(2)21-17-15(12)9-6-10-16(17)18(20)19-11-14-7-4-3-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyXOVLRDGJKCZKTL-CHWSQXEVSA-N
MW287.40 g/mol
LogP3.88
Rot. Bonds3

About (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 30824030) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID30824030
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESC[C@H]1Oc2c(C(=O)NCC3CCCCC3)cccc2[C@@H]1C
InChIInChI=1S/C18H25NO2/c1-12-13(2)21-17-15(12)9-6-10-16(17)18(20)19-11-14-7-4-3-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyXOVLRDGJKCZKTL-CHWSQXEVSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 30824030) is (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is C[C@H]1Oc2c(C(=O)NCC3CCCCC3)cccc2[C@@H]1C.
What is the InChIKey of (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is XOVLRDGJKCZKTL-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-13(2)21-17-15(12)9-6-10-16(17)18(20)19-11-14-7-4-3-5-8-14/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 30824030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).