N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C22H27NO2 — CID 7777626

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)oc2ccccc12
InChIInChI=1S/C22H27NO2/c1-13-18-5-3-4-6-19(18)25-20(13)21(24)23-14(2)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,24)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyIEDRAEXODVFKOT-XSXQVXRUSA-N
MW337.46 g/mol
LogP5.08
Rot. Bonds3

About N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7777626) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7777626
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)oc2ccccc12
InChIInChI=1S/C22H27NO2/c1-13-18-5-3-4-6-19(18)25-20(13)21(24)23-14(2)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,24)/t14-,15?,16?,17?,22?/m1/s1
InChIKeyIEDRAEXODVFKOT-XSXQVXRUSA-N
XLogP5.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
methyl (E,6S)-7-[[1-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methyl-1-benzofuran-2-carbonyl)amino]-7-oxohept-2-enoate
CID 166454884
N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248
N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide
CID 43926474
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 7777626) is N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)oc2ccccc12.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IEDRAEXODVFKOT-XSXQVXRUSA-N. The full InChI is InChI=1S/C22H27NO2/c1-13-18-5-3-4-6-19(18)25-20(13)21(24)23-14(2)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-12H2,1-2H3,(H,23,24)/t14-,15?,16?,17?,22?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7777626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).