N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide

C28H32N2O3 — CID 5013111

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C2CCCCC2)c1
InChIInChI=1S/C28H32N2O3/c1-22-10-8-13-24(18-22)28(32)30(25-14-6-3-7-15-25)21-27(31)29(20-26-16-9-17-33-26)19-23-11-4-2-5-12-23/h2,4-5,8-13,16-18,25H,3,6-7,14-15,19-21H2,1H3
InChIKeyLJOQJWZBCREXHF-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.59
Rot. Bonds8

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide (PubChem CID 5013111) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
PubChem CID5013111
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
SMILESCc1cccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C2CCCCC2)c1
InChIInChI=1S/C28H32N2O3/c1-22-10-8-13-24(18-22)28(32)30(25-14-6-3-7-15-25)21-27(31)29(20-26-16-9-17-33-26)19-23-11-4-2-5-12-23/h2,4-5,8-13,16-18,25H,3,6-7,14-15,19-21H2,1H3
InChIKeyLJOQJWZBCREXHF-UHFFFAOYSA-N
XLogP5.59
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide
CID 1058317
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclohexylfuran-2-carboxamide
CID 1059842
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4260122
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 5041484
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)acetamide
CID 5226008

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide (CID 5013111) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide is Cc1cccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C2CCCCC2)c1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide?
The InChIKey is LJOQJWZBCREXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-22-10-8-13-24(18-22)28(32)30(25-14-6-3-7-15-25)21-27(31)29(20-26-16-9-17-33-26)19-23-11-4-2-5-12-23/h2,4-5,8-13,16-18,25H,3,6-7,14-15,19-21H2,1H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide has a molecular weight of 444.58 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide is sourced from PubChem (CID 5013111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).