[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate

C20H27N3O5 — CID 46617772

IUPAC[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OC(C)C(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C20H27N3O5/c1-12-8-13(2)10-15(9-12)19(26)21-11-17(24)28-14(3)18(25)23-20(27)22-16-6-4-5-7-16/h8-10,14,16H,4-7,11H2,1-3H3,(H,21,26)(H2,22,23,25,27)
InChIKeyCEWACUSYRIZRFZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.73
Rot. Bonds6

About [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 46617772) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID46617772
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OC(C)C(=O)NC(=O)NC2CCCC2)c1
InChIInChI=1S/C20H27N3O5/c1-12-8-13(2)10-15(9-12)19(26)21-11-17(24)28-14(3)18(25)23-20(27)22-16-6-4-5-7-16/h8-10,14,16H,4-7,11H2,1-3H3,(H,21,26)(H2,22,23,25,27)
InChIKeyCEWACUSYRIZRFZ-UHFFFAOYSA-N
XLogP1.73
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate with MolForge

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Related Compounds

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 18204446
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7749163
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883338
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 40674066
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882218
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 42968778
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018744
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942981
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942988
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 46617772) is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OC(C)C(=O)NC(=O)NC2CCCC2)c1.
What is the InChIKey of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is CEWACUSYRIZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-12-8-13(2)10-15(9-12)19(26)21-11-17(24)28-14(3)18(25)23-20(27)22-16-6-4-5-7-16/h8-10,14,16H,4-7,11H2,1-3H3,(H,21,26)(H2,22,23,25,27).
What are the key properties of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 389.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 46617772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).