2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide

C16H19NO3 — CID 95383153

IUPAC2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)N[C@@H]2CCCc3occc32)c1C
InChIInChI=1S/C16H19NO3/c1-9-10(2)20-11(3)15(9)16(18)17-13-5-4-6-14-12(13)7-8-19-14/h7-8,13H,4-6H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyONPINMINKATKAV-CYBMUJFWSA-N
MW273.33 g/mol
LogP3.61
Rot. Bonds2

About 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide

2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide (PubChem CID 95383153) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
PubChem CID95383153
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)N[C@@H]2CCCc3occc32)c1C
InChIInChI=1S/C16H19NO3/c1-9-10(2)20-11(3)15(9)16(18)17-13-5-4-6-14-12(13)7-8-19-14/h7-8,13H,4-6H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyONPINMINKATKAV-CYBMUJFWSA-N
XLogP3.61
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide with MolForge

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Related Compounds

2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide
CID 75370547
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
5-chloro-1-ethyl-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrazole-4-carboxamide
CID 96997237
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
CID 71931313
5-(cyclopropanecarbonylamino)-3-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]thiophene-2-carboxamide
CID 97004987
6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 100650137
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
5-bromo-N-[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 112841023

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide (CID 95383153) is 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide is Cc1oc(C)c(C(=O)N[C@@H]2CCCc3occc32)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide?
The InChIKey is ONPINMINKATKAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-10(2)20-11(3)15(9)16(18)17-13-5-4-6-14-12(13)7-8-19-14/h7-8,13H,4-6H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide?
2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide is sourced from PubChem (CID 95383153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).