N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

C28H36N2O5 — CID 21156803

IUPACN-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCO2)C(C(N)=O)(c2ccc(C)cc2)C2CCCC2)cc1OC
InChIInChI=1S/C28H36N2O5/c1-19-10-13-22(14-11-19)28(27(29)32,21-7-4-5-8-21)30(18-23-9-6-16-35-23)26(31)20-12-15-24(33-2)25(17-20)34-3/h10-15,17,21,23H,4-9,16,18H2,1-3H3,(H2,29,32)
InChIKeyUSTZOWUVMASDCG-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.20
Rot. Bonds9

About N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide

N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 21156803) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID21156803
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC NameN-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC2CCCO2)C(C(N)=O)(c2ccc(C)cc2)C2CCCC2)cc1OC
InChIInChI=1S/C28H36N2O5/c1-19-10-13-22(14-11-19)28(27(29)32,21-7-4-5-8-21)30(18-23-9-6-16-35-23)26(31)20-12-15-24(33-2)25(17-20)34-3/h10-15,17,21,23H,4-9,16,18H2,1-3H3,(H2,29,32)
InChIKeyUSTZOWUVMASDCG-UHFFFAOYSA-N
XLogP4.20
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide (CID 21156803) is N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)N(CC2CCCO2)C(C(N)=O)(c2ccc(C)cc2)C2CCCC2)cc1OC.
What is the InChIKey of N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is USTZOWUVMASDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-19-10-13-22(14-11-19)28(27(29)32,21-7-4-5-8-21)30(18-23-9-6-16-35-23)26(31)20-12-15-24(33-2)25(17-20)34-3/h10-15,17,21,23H,4-9,16,18H2,1-3H3,(H2,29,32).
What are the key properties of N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide?
N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 480.61 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-cyclopentyl-1-(4-methylphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 21156803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).