2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate

C15H22ClN3O3 — CID 11484242

IUPAC2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O3/c1-2-3-4-8-18-15(21)22-10-9-17-14(20)19-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,21)(H2,17,19,20)
InChIKeyOYFDUHMTNLYJJY-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.38
Rot. Bonds8

About 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate

2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate (PubChem CID 11484242) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate
PubChem CID11484242
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3O3/c1-2-3-4-8-18-15(21)22-10-9-17-14(20)19-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,21)(H2,17,19,20)
InChIKeyOYFDUHMTNLYJJY-UHFFFAOYSA-N
XLogP3.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate (CID 11484242) is 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate is CCCCCNC(=O)OCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate?
The InChIKey is OYFDUHMTNLYJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-2-3-4-8-18-15(21)22-10-9-17-14(20)19-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate?
2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate has a molecular weight of 327.81 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]ethyl N-pentylcarbamate is sourced from PubChem (CID 11484242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).