N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide

C20H25N3O6 — CID 11258178

IUPACN-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide
SMILESCOc1cccc2cc(C(=O)NNC(=O)C3(CN(O)C=O)CCC(C)CC3)oc12
InChIInChI=1S/C20H25N3O6/c1-13-6-8-20(9-7-13,11-23(27)12-24)19(26)22-21-18(25)16-10-14-4-3-5-15(28-2)17(14)29-16/h3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGJWVUTNIPKZWEH-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.25
Rot. Bonds6

About N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide

N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide (PubChem CID 11258178) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide
PubChem CID11258178
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC NameN-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide
SMILESCOc1cccc2cc(C(=O)NNC(=O)C3(CN(O)C=O)CCC(C)CC3)oc12
InChIInChI=1S/C20H25N3O6/c1-13-6-8-20(9-7-13,11-23(27)12-24)19(26)22-21-18(25)16-10-14-4-3-5-15(28-2)17(14)29-16/h3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGJWVUTNIPKZWEH-UHFFFAOYSA-N
XLogP2.25
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide with MolForge

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Related Compounds

7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[2-(oxan-4-ylsulfanyl)ethyl]-1-benzofuran-2-carboxamide
CID 86265197
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813507
7-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 124505008
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 98783372
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71785684
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95982356

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide?
The IUPAC name of N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide (CID 11258178) is N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide.
What is the SMILES notation for N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide?
The canonical SMILES for N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide is COc1cccc2cc(C(=O)NNC(=O)C3(CN(O)C=O)CCC(C)CC3)oc12.
What is the InChIKey of N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide?
The InChIKey is GJWVUTNIPKZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-13-6-8-20(9-7-13,11-23(27)12-24)19(26)22-21-18(25)16-10-14-4-3-5-15(28-2)17(14)29-16/h3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide?
N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide has a molecular weight of 403.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[1-[[(7-methoxy-1-benzofuran-2-carbonyl)amino]carbamoyl]-4-methylcyclohexyl]methyl]formamide is sourced from PubChem (CID 11258178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).