N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

C28H30N2O4 — CID 3424973

IUPACN-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C28H30N2O4/c1-33-24-12-21(29-26(31)16-28-13-17-8-18(14-28)10-19(9-17)15-28)6-7-22(24)30-27(32)25-11-20-4-2-3-5-23(20)34-25/h2-7,11-12,17-19H,8-10,13-16H2,1H3,(H,29,31)(H,30,32)
InChIKeyMFURVPRNBLYPQK-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.24
Rot. Bonds6

About N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 3424973) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID3424973
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C28H30N2O4/c1-33-24-12-21(29-26(31)16-28-13-17-8-18(14-28)10-19(9-17)15-28)6-7-22(24)30-27(32)25-11-20-4-2-3-5-23(20)34-25/h2-7,11-12,17-19H,8-10,13-16H2,1H3,(H,29,31)(H,30,32)
InChIKeyMFURVPRNBLYPQK-UHFFFAOYSA-N
XLogP6.24
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016051
N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1256453
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[4-[(2-iodobenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3551770
N-[2-methoxy-4-[(2-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3861071
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
N-[2-methoxy-4-[(3-methoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 1337055

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 3424973) is N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is MFURVPRNBLYPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-24-12-21(29-26(31)16-28-13-17-8-18(14-28)10-19(9-17)15-28)6-7-22(24)30-27(32)25-11-20-4-2-3-5-23(20)34-25/h2-7,11-12,17-19H,8-10,13-16H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3424973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).