N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide

C27H30N2O3 — CID 46046017

IUPACN-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C27H30N2O3/c1-20-6-4-7-22(16-20)19-29(27(31)23-8-2-3-9-23)24-13-11-21(12-14-24)17-26(30)28-18-25-10-5-15-32-25/h4-7,10-16,23H,2-3,8-9,17-19H2,1H3,(H,28,30)
InChIKeyCKKREAOBUBPPMR-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.17
Rot. Bonds8

About N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide

N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide (PubChem CID 46046017) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
PubChem CID46046017
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C27H30N2O3/c1-20-6-4-7-22(16-20)19-29(27(31)23-8-2-3-9-23)24-13-11-21(12-14-24)17-26(30)28-18-25-10-5-15-32-25/h4-7,10-16,23H,2-3,8-9,17-19H2,1H3,(H,28,30)
InChIKeyCKKREAOBUBPPMR-UHFFFAOYSA-N
XLogP5.17
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 46045794
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-[(4-propan-2-ylphenyl)methylamino]ethyl]phenyl]cyclopentanecarboxamide
CID 170566196
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046019
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046355
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46046322
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
CID 46045707
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-2-methylbenzamide
CID 46045835

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide (CID 46046017) is N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide is Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is CKKREAOBUBPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-20-6-4-7-22(16-20)19-29(27(31)23-8-2-3-9-23)24-13-11-21(12-14-24)17-26(30)28-18-25-10-5-15-32-25/h4-7,10-16,23H,2-3,8-9,17-19H2,1H3,(H,28,30).
What are the key properties of N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide?
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 46046017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).