[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate

C15H23N3O4 — CID 108865603

IUPAC[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H23N3O4/c1-4-21-15(20)22-13-8-6-12(7-9-13)17-14(19)16-10-5-11-18(2)3/h6-9H,4-5,10-11H2,1-3H3,(H2,16,17,19)
InChIKeyMSXBRJFXWHKOEW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.30
Rot. Bonds7

About [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate

[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate (PubChem CID 108865603) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
PubChem CID108865603
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H23N3O4/c1-4-21-15(20)22-13-8-6-12(7-9-13)17-14(19)16-10-5-11-18(2)3/h6-9H,4-5,10-11H2,1-3H3,(H2,16,17,19)
InChIKeyMSXBRJFXWHKOEW-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.30
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

6-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]hexanoic acid
CID 108865498
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
CID 108988372
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate?
The IUPAC name of [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate (CID 108865603) is [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate?
The canonical SMILES for [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(NC(=O)NCCCN(C)C)cc1.
What is the InChIKey of [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate?
The InChIKey is MSXBRJFXWHKOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-21-15(20)22-13-8-6-12(7-9-13)17-14(19)16-10-5-11-18(2)3/h6-9H,4-5,10-11H2,1-3H3,(H2,16,17,19).
What are the key properties of [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate?
[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate has a molecular weight of 309.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate is sourced from PubChem (CID 108865603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).