[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate

C16H20N2O5 — CID 108537565

IUPAC[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C16H20N2O5/c1-2-22-16(21)23-13-7-5-12(6-8-13)15(20)18-10-9-17-14(19)11-3-4-11/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyKUZJQBJAAXVTIA-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.48
Rot. Bonds7

About [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate

[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate (PubChem CID 108537565) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
PubChem CID108537565
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C16H20N2O5/c1-2-22-16(21)23-13-7-5-12(6-8-13)15(20)18-10-9-17-14(19)11-3-4-11/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyKUZJQBJAAXVTIA-UHFFFAOYSA-N
XLogP1.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(ethoxycarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108570522
ethyl [4-[2-[[2-(oxan-4-yl)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929893
ethyl [4-[2-[(2-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537547
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
[4-[2-[(3,4-dichlorobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537528
ethyl [4-[2-[(2-fluorobenzoyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108537531
[4-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537544
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
ethyl [4-[2-[(2-phenoxyacetyl)amino]ethylcarbamoyl]phenyl] carbonate
CID 108929821
[4-[2-[(5-bromofuran-2-carbonyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537549
ethyl [4-[3-[[(E)-3-methylpent-2-enoyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932436
ethyl [4-[3-[[2-(2-methoxyethoxy)acetyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932364

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate (CID 108537565) is [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
The InChIKey is KUZJQBJAAXVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-2-22-16(21)23-13-7-5-12(6-8-13)15(20)18-10-9-17-14(19)11-3-4-11/h5-8,11H,2-4,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate?
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate has a molecular weight of 320.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108537565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).