ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate

C15H23N3O4 — CID 108893525

IUPACethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCOc1ccccc1CC
InChIInChI=1S/C15H23N3O4/c1-3-12-7-5-6-8-13(12)22-11-18-14(19)16-9-10-17-15(20)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyOYBAKLYBYVOMJR-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.63
Rot. Bonds8

About ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate

ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate (PubChem CID 108893525) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
PubChem CID108893525
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCOc1ccccc1CC
InChIInChI=1S/C15H23N3O4/c1-3-12-7-5-6-8-13(12)22-11-18-14(19)16-9-10-17-15(20)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H2,16,18,19)
InChIKeyOYBAKLYBYVOMJR-UHFFFAOYSA-N
XLogP1.63
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
CID 108897797
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
CID 108572439
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
CID 108893237

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate (CID 108893525) is ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate is CCOC(=O)NCCNC(=O)NCOc1ccccc1CC.
What is the InChIKey of ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate?
The InChIKey is OYBAKLYBYVOMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-12-7-5-6-8-13(12)22-11-18-14(19)16-9-10-17-15(20)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H2,16,18,19).
What are the key properties of ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate?
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108893525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).