[3-(3-methoxypropylcarbamoylamino)phenyl] acetate

C13H18N2O4 — CID 108865105

IUPAC[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
SMILESCOCCCNC(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C13H18N2O4/c1-10(16)19-12-6-3-5-11(9-12)15-13(17)14-7-4-8-18-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,14,15,17)
InChIKeyLYFATDGPFIIAHU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds6

About [3-(3-methoxypropylcarbamoylamino)phenyl] acetate

[3-(3-methoxypropylcarbamoylamino)phenyl] acetate (PubChem CID 108865105) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [3-(3-methoxypropylcarbamoylamino)phenyl] acetate.

Molecular Properties

Compound Name[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
PubChem CID108865105
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
SMILESCOCCCNC(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C13H18N2O4/c1-10(16)19-12-6-3-5-11(9-12)15-13(17)14-7-4-8-18-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,14,15,17)
InChIKeyLYFATDGPFIIAHU-UHFFFAOYSA-N
XLogP1.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-acetamidoethylcarbamoylamino)phenyl] acetate
CID 108865308
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
1-(3-methoxypropyl)-3-(3-methylsulfonylphenyl)urea
CID 47201415
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
N-[3-[3-[(4-propan-2-ylphenyl)carbamoylamino]propoxy]phenyl]acetamide
CID 3810433
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropylcarbamoylamino)phenyl] acetate?
The IUPAC name of [3-(3-methoxypropylcarbamoylamino)phenyl] acetate (CID 108865105) is [3-(3-methoxypropylcarbamoylamino)phenyl] acetate.
What is the SMILES notation for [3-(3-methoxypropylcarbamoylamino)phenyl] acetate?
The canonical SMILES for [3-(3-methoxypropylcarbamoylamino)phenyl] acetate is COCCCNC(=O)Nc1cccc(OC(C)=O)c1.
What is the InChIKey of [3-(3-methoxypropylcarbamoylamino)phenyl] acetate?
The InChIKey is LYFATDGPFIIAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(16)19-12-6-3-5-11(9-12)15-13(17)14-7-4-8-18-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,14,15,17).
What are the key properties of [3-(3-methoxypropylcarbamoylamino)phenyl] acetate?
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate has a molecular weight of 266.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropylcarbamoylamino)phenyl] acetate is sourced from PubChem (CID 108865105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).