3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide

C18H23N3O3 — CID 142011275

IUPAC3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)N/C(N)=N/c2ccc3oc(C)cc3c2)C1
InChIInChI=1S/C18H23N3O3/c1-11-8-13-9-14(6-7-16(13)24-11)20-18(19)21-17(22)12-4-3-5-15(10-12)23-2/h6-9,12,15H,3-5,10H2,1-2H3,(H3,19,20,21,22)
InChIKeyICQXUGSHSNMKAG-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.01
Rot. Bonds3

About 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide

3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide (PubChem CID 142011275) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide
PubChem CID142011275
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)N/C(N)=N/c2ccc3oc(C)cc3c2)C1
InChIInChI=1S/C18H23N3O3/c1-11-8-13-9-14(6-7-16(13)24-11)20-18(19)21-17(22)12-4-3-5-15(10-12)23-2/h6-9,12,15H,3-5,10H2,1-2H3,(H3,19,20,21,22)
InChIKeyICQXUGSHSNMKAG-UHFFFAOYSA-N
XLogP3.01
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-[4-[(2-methyl-1-benzofuran-5-yl)amino]-3-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,5-triazin-1-yl]butanoate
CID 58578769
Guanidine, N-[4-[5-[(aminoiminomethyl)amino]-2-benzofuranyl]phenyl]-
CID 3010566
N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide
CID 12813617
N'-[4-[5-(dimethylaminomethylideneamino)-1-benzofuran-2-yl]phenyl]-N,N-dimethylmethanimidamide
CID 12813617
1-Cyano-2-(6-fluoro-2-methyl-1-benzofuran-5-yl)guanidine
CID 142010782
1-Cyano-2-(6-fluoro-2-methyl-1-benzofuran-5-yl)guanidine
CID 142010782
2-[(5-Fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111084781
1-Cyano-2-(7-fluoro-2-methyl-1-benzofuran-5-yl)guanidine
CID 142011117
4-N-[N'-(2-methyl-1-benzofuran-5-yl)-N-methylidenecarbamimidoyl]-1-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide
CID 162577587
n-(2-Phenylbenzofuran-5-yl)acetamidine
CID 11402453
4-(5-amino-1-benzofuran-3-yl)-N-methylbutanamide
CID 21917124
N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide
CID 23085673

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide (CID 142011275) is 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide is COC1CCCC(C(=O)N/C(N)=N/c2ccc3oc(C)cc3c2)C1.
What is the InChIKey of 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide?
The InChIKey is ICQXUGSHSNMKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-8-13-9-14(6-7-16(13)24-11)20-18(19)21-17(22)12-4-3-5-15(10-12)23-2/h6-9,12,15H,3-5,10H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide?
3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142011275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).