N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide

C24H30N2O4 — CID 67778297

IUPACN-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCCC1(c2ccc(OC[C@H](C)NC(C)=O)cn2)Cc2ccc(OCC3CC3)cc2O1
InChIInChI=1S/C24H30N2O4/c1-4-24(23-10-9-21(13-25-23)28-14-16(2)26-17(3)27)12-19-7-8-20(11-22(19)30-24)29-15-18-5-6-18/h7-11,13,16,18H,4-6,12,14-15H2,1-3H3,(H,26,27)/t16-,24?/m0/s1
InChIKeyMIKGCTLQSPTDAU-FXIRQEPWSA-N
MW410.51 g/mol
LogP4.01
Rot. Bonds9

About N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide

N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide (PubChem CID 67778297) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
PubChem CID67778297
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
SMILESCCC1(c2ccc(OC[C@H](C)NC(C)=O)cn2)Cc2ccc(OCC3CC3)cc2O1
InChIInChI=1S/C24H30N2O4/c1-4-24(23-10-9-21(13-25-23)28-14-16(2)26-17(3)27)12-19-7-8-20(11-22(19)30-24)29-15-18-5-6-18/h7-11,13,16,18H,4-6,12,14-15H2,1-3H3,(H,26,27)/t16-,24?/m0/s1
InChIKeyMIKGCTLQSPTDAU-FXIRQEPWSA-N
XLogP4.01
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide (CID 67778297) is N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide is CCC1(c2ccc(OC[C@H](C)NC(C)=O)cn2)Cc2ccc(OCC3CC3)cc2O1.
What is the InChIKey of N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
The InChIKey is MIKGCTLQSPTDAU-FXIRQEPWSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-24(23-10-9-21(13-25-23)28-14-16(2)26-17(3)27)12-19-7-8-20(11-22(19)30-24)29-15-18-5-6-18/h7-11,13,16,18H,4-6,12,14-15H2,1-3H3,(H,26,27)/t16-,24?/m0/s1.
What are the key properties of N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide?
N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide is sourced from PubChem (CID 67778297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).