3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide

C17H20N2O2 — CID 9464639

IUPAC3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN=C2CCCC[C@H]2C)oc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-11-7-3-5-9-14(11)18-19-17(20)16-12(2)13-8-4-6-10-15(13)21-16/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyKJLPPPYGNYYYBA-LLVKDONJSA-N
MW284.36 g/mol
LogP4.04
Rot. Bonds2

About 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide

3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide (PubChem CID 9464639) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
PubChem CID9464639
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN=C2CCCC[C@H]2C)oc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-11-7-3-5-9-14(11)18-19-17(20)16-12(2)13-8-4-6-10-15(13)21-16/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyKJLPPPYGNYYYBA-LLVKDONJSA-N
XLogP4.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
CID 9350231
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
3-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-1-benzofuran-2-carboxamide
CID 9464616
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
3-methyl-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]-1-benzofuran-2-carboxamide
CID 9464642
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
2-(furan-2-yl)-N-[[(2S)-2-methylcyclohexylidene]amino]quinoline-4-carboxamide
CID 9214481
2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
CID 8518251

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide (CID 9464639) is 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NN=C2CCCC[C@H]2C)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide?
The InChIKey is KJLPPPYGNYYYBA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-3-5-9-14(11)18-19-17(20)16-12(2)13-8-4-6-10-15(13)21-16/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide?
3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).