4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide

C26H34N2O3 — CID 86877844

IUPAC4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-19-8-14-23(15-9-19)28(18-24-7-4-16-31-24)26(30)21-10-12-22(13-11-21)27-25(29)17-20-5-2-3-6-20/h4,7-9,14-16,20-22H,2-3,5-6,10-13,17-18H2,1H3,(H,27,29)
InChIKeyQDFWEJADNVRDKF-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.38
Rot. Bonds7

About 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide

4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 86877844) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID86877844
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-19-8-14-23(15-9-19)28(18-24-7-4-16-31-24)26(30)21-10-12-22(13-11-21)27-25(29)17-20-5-2-3-6-20/h4,7-9,14-16,20-22H,2-3,5-6,10-13,17-18H2,1H3,(H,27,29)
InChIKeyQDFWEJADNVRDKF-UHFFFAOYSA-N
XLogP5.38
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 75853603
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 46046017
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 46045794
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 60619683
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide (CID 86877844) is 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(N(Cc2ccco2)C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)cc1.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is QDFWEJADNVRDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19-8-14-23(15-9-19)28(18-24-7-4-16-31-24)26(30)21-10-12-22(13-11-21)27-25(29)17-20-5-2-3-6-20/h4,7-9,14-16,20-22H,2-3,5-6,10-13,17-18H2,1H3,(H,27,29).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide?
4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86877844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).