[3-(propanoylamino)phenyl] N-phenylcarbamate

C16H16N2O3 — CID 57133762

IUPAC[3-(propanoylamino)phenyl] N-phenylcarbamate
SMILESCCC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c1-2-15(19)17-13-9-6-10-14(11-13)21-16(20)18-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyYFUGNOSBNIWFRJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.65
Rot. Bonds4

About [3-(propanoylamino)phenyl] N-phenylcarbamate

[3-(propanoylamino)phenyl] N-phenylcarbamate (PubChem CID 57133762) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [3-(propanoylamino)phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-(propanoylamino)phenyl] N-phenylcarbamate
PubChem CID57133762
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[3-(propanoylamino)phenyl] N-phenylcarbamate
SMILESCCC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c1-2-15(19)17-13-9-6-10-14(11-13)21-16(20)18-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyYFUGNOSBNIWFRJ-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
ethane;methane;N-phenylpropanamide
CID 159778408
[3-(propanoylamino)phenyl] 3-methylbenzoate
CID 17073233
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
4-[3-(propanoylamino)phenoxy]phthalic acid
CID 9320972
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 54282539
N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
CID 23210449
phenyl N-[3-(methylaminomethyl)phenyl]carbamate
CID 43602480
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442

Frequently Asked Questions

What is the IUPAC name of [3-(propanoylamino)phenyl] N-phenylcarbamate?
The IUPAC name of [3-(propanoylamino)phenyl] N-phenylcarbamate (CID 57133762) is [3-(propanoylamino)phenyl] N-phenylcarbamate.
What is the SMILES notation for [3-(propanoylamino)phenyl] N-phenylcarbamate?
The canonical SMILES for [3-(propanoylamino)phenyl] N-phenylcarbamate is CCC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1.
What is the InChIKey of [3-(propanoylamino)phenyl] N-phenylcarbamate?
The InChIKey is YFUGNOSBNIWFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-15(19)17-13-9-6-10-14(11-13)21-16(20)18-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [3-(propanoylamino)phenyl] N-phenylcarbamate?
[3-(propanoylamino)phenyl] N-phenylcarbamate has a molecular weight of 284.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propanoylamino)phenyl] N-phenylcarbamate is sourced from PubChem (CID 57133762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).