[3-(dibutylcarbamoylamino)phenyl] acetate

C17H26N2O3 — CID 108865229

IUPAC[3-(dibutylcarbamoylamino)phenyl] acetate
SMILESCCCCN(CCCC)C(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C17H26N2O3/c1-4-6-11-19(12-7-5-2)17(21)18-15-9-8-10-16(13-15)22-14(3)20/h8-10,13H,4-7,11-12H2,1-3H3,(H,18,21)
InChIKeyFQWOXMZKIVNJPP-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.05
Rot. Bonds8

About [3-(dibutylcarbamoylamino)phenyl] acetate

[3-(dibutylcarbamoylamino)phenyl] acetate (PubChem CID 108865229) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [3-(dibutylcarbamoylamino)phenyl] acetate.

Molecular Properties

Compound Name[3-(dibutylcarbamoylamino)phenyl] acetate
PubChem CID108865229
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[3-(dibutylcarbamoylamino)phenyl] acetate
SMILESCCCCN(CCCC)C(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C17H26N2O3/c1-4-6-11-19(12-7-5-2)17(21)18-15-9-8-10-16(13-15)22-14(3)20/h8-10,13H,4-7,11-12H2,1-3H3,(H,18,21)
InChIKeyFQWOXMZKIVNJPP-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218
[3-(ethoxycarbonylamino)phenyl] N-butyl-N-ethylcarbamate
CID 57037994
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
CID 108893738
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
[4-[[butyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4653596
[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate
CID 134123208
[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
CID 108865087
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
CID 108895483
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154

Frequently Asked Questions

What is the IUPAC name of [3-(dibutylcarbamoylamino)phenyl] acetate?
The IUPAC name of [3-(dibutylcarbamoylamino)phenyl] acetate (CID 108865229) is [3-(dibutylcarbamoylamino)phenyl] acetate.
What is the SMILES notation for [3-(dibutylcarbamoylamino)phenyl] acetate?
The canonical SMILES for [3-(dibutylcarbamoylamino)phenyl] acetate is CCCCN(CCCC)C(=O)Nc1cccc(OC(C)=O)c1.
What is the InChIKey of [3-(dibutylcarbamoylamino)phenyl] acetate?
The InChIKey is FQWOXMZKIVNJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-6-11-19(12-7-5-2)17(21)18-15-9-8-10-16(13-15)22-14(3)20/h8-10,13H,4-7,11-12H2,1-3H3,(H,18,21).
What are the key properties of [3-(dibutylcarbamoylamino)phenyl] acetate?
[3-(dibutylcarbamoylamino)phenyl] acetate has a molecular weight of 306.41 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dibutylcarbamoylamino)phenyl] acetate is sourced from PubChem (CID 108865229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).