[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate

C16H19N3O6 — CID 8851361

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O6/c20-14(18-16(22)17-12-3-1-2-4-12)10-25-15(21)9-11-5-7-13(8-6-11)19(23)24/h5-8,12H,1-4,9-10H2,(H2,17,18,20,22)
InChIKeyQYUDBBFHJVPFNC-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.45
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate (PubChem CID 8851361) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
PubChem CID8851361
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19N3O6/c20-14(18-16(22)17-12-3-1-2-4-12)10-25-15(21)9-11-5-7-13(8-6-11)19(23)24/h5-8,12H,1-4,9-10H2,(H2,17,18,20,22)
InChIKeyQYUDBBFHJVPFNC-UHFFFAOYSA-N
XLogP1.45
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3657721
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520948
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 2501665
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011250
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate
CID 7684669
[2-(4-nitrophenoxy)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 175037095
[2-(4-nitrophenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 2300592
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589718

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate (CID 8851361) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate is O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
The InChIKey is QYUDBBFHJVPFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c20-14(18-16(22)17-12-3-1-2-4-12)10-25-15(21)9-11-5-7-13(8-6-11)19(23)24/h5-8,12H,1-4,9-10H2,(H2,17,18,20,22).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate has a molecular weight of 349.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate is sourced from PubChem (CID 8851361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).