[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate

C19H22N2O3 — CID 108865087

IUPAC[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-14(2)21(13-16-8-5-4-6-9-16)19(23)20-17-10-7-11-18(12-17)24-15(3)22/h4-12,14H,13H2,1-3H3,(H,20,23)
InChIKeyUWMJIZPLRDNXLJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.05
Rot. Bonds5

About [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate

[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate (PubChem CID 108865087) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate.

Molecular Properties

Compound Name[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
PubChem CID108865087
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NC(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-14(2)21(13-16-8-5-4-6-9-16)19(23)20-17-10-7-11-18(12-17)24-15(3)22/h4-12,14H,13H2,1-3H3,(H,20,23)
InChIKeyUWMJIZPLRDNXLJ-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
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

1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
[4-[[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4656321
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
[3-(dibutylcarbamoylamino)phenyl] acetate
CID 108865229

Frequently Asked Questions

What is the IUPAC name of [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate?
The IUPAC name of [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate (CID 108865087) is [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate.
What is the SMILES notation for [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate?
The canonical SMILES for [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate is CC(=O)Oc1cccc(NC(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate?
The InChIKey is UWMJIZPLRDNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)21(13-16-8-5-4-6-9-16)19(23)20-17-10-7-11-18(12-17)24-15(3)22/h4-12,14H,13H2,1-3H3,(H,20,23).
What are the key properties of [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate?
[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate has a molecular weight of 326.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate is sourced from PubChem (CID 108865087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).