[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate

C15H22N2O5 — CID 108865269

IUPAC[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
SMILESCOCCN(CCOC)C(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C15H22N2O5/c1-12(18)22-14-6-4-5-13(11-14)16-15(19)17(7-9-20-2)8-10-21-3/h4-6,11H,7-10H2,1-3H3,(H,16,19)
InChIKeyIVACRWQKQYJHEW-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.74
Rot. Bonds8

About [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate

[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate (PubChem CID 108865269) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
PubChem CID108865269
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
SMILESCOCCN(CCOC)C(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C15H22N2O5/c1-12(18)22-14-6-4-5-13(11-14)16-15(19)17(7-9-20-2)8-10-21-3/h4-6,11H,7-10H2,1-3H3,(H,16,19)
InChIKeyIVACRWQKQYJHEW-UHFFFAOYSA-N
XLogP1.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
[3-(dibutylcarbamoylamino)phenyl] acetate
CID 108865229
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
3-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 63286808
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
CID 108865087

Frequently Asked Questions

What is the IUPAC name of [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate?
The IUPAC name of [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate (CID 108865269) is [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate.
What is the SMILES notation for [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate?
The canonical SMILES for [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate is COCCN(CCOC)C(=O)Nc1cccc(OC(C)=O)c1.
What is the InChIKey of [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate?
The InChIKey is IVACRWQKQYJHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-12(18)22-14-6-4-5-13(11-14)16-15(19)17(7-9-20-2)8-10-21-3/h4-6,11H,7-10H2,1-3H3,(H,16,19).
What are the key properties of [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate?
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate has a molecular weight of 310.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate is sourced from PubChem (CID 108865269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).