N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide

C21H26N2O3 — CID 55756275

IUPACN-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)CN2CCCCCCC2=O)cc1
InChIInChI=1S/C21H26N2O3/c1-17-9-11-18(12-10-17)23(15-19-7-6-14-26-19)21(25)16-22-13-5-3-2-4-8-20(22)24/h6-7,9-12,14H,2-5,8,13,15-16H2,1H3
InChIKeyOQPSDNKLWRKRHL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.91
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide

N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 55756275) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
PubChem CID55756275
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)CN2CCCCCCC2=O)cc1
InChIInChI=1S/C21H26N2O3/c1-17-9-11-18(12-10-17)23(15-19-7-6-14-26-19)21(25)16-22-13-5-3-2-4-8-20(22)24/h6-7,9-12,14H,2-5,8,13,15-16H2,1H3
InChIKeyOQPSDNKLWRKRHL-UHFFFAOYSA-N
XLogP3.91
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78904271
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CID 60528113
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
N-(furan-2-ylmethyl)-2-(1-methyl-5-oxo-4H-pyrazol-3-yl)-N-(4-methylphenyl)acetamide
CID 75396623
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 43027899
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 75853603
N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 72865270
1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 78829146
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 86877844
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 111113787

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide (CID 55756275) is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide is Cc1ccc(N(Cc2ccco2)C(=O)CN2CCCCCCC2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is OQPSDNKLWRKRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17-9-11-18(12-10-17)23(15-19-7-6-14-26-19)21(25)16-22-13-5-3-2-4-8-20(22)24/h6-7,9-12,14H,2-5,8,13,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide?
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 55756275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).