[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate

C20H24N2O4 — CID 54282539

IUPAC[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
SMILESCCOCCN(C(=O)Oc1cccc(NC(=O)CC)c1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-19(23)21-16-9-8-12-18(15-16)26-20(24)22(13-14-25-4-2)17-10-6-5-7-11-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyRRUKKXYUYBMUOJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.08
Rot. Bonds8

About [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate

[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate (PubChem CID 54282539) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate.

Molecular Properties

Compound Name[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
PubChem CID54282539
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
SMILESCCOCCN(C(=O)Oc1cccc(NC(=O)CC)c1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-19(23)21-16-9-8-12-18(15-16)26-20(24)22(13-14-25-4-2)17-10-6-5-7-11-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyRRUKKXYUYBMUOJ-UHFFFAOYSA-N
XLogP4.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methylpropoxycarbonylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 154122641
[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate
CID 154324215
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
[3-(propanethioylamino)phenyl] N-(2-butoxyethyl)-N-(4-methylphenyl)carbamate
CID 154176695
[3-(prop-2-ynoxycarbonylamino)phenyl] N-butyl-N-phenylcarbamate
CID 14372424
[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate
CID 154117139
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
[3-(propanoylamino)phenyl] N-(1-cyano-2-phenylethyl)-N-methylcarbamate
CID 154174476
ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid
CID 57057134
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
N-butyl-N-phenyl-3-(propanoylamino)benzamide
CID 17309767
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581

Frequently Asked Questions

What is the IUPAC name of [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate?
The IUPAC name of [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate (CID 54282539) is [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate.
What is the SMILES notation for [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate?
The canonical SMILES for [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate is CCOCCN(C(=O)Oc1cccc(NC(=O)CC)c1)c1ccccc1.
What is the InChIKey of [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate?
The InChIKey is RRUKKXYUYBMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-19(23)21-16-9-8-12-18(15-16)26-20(24)22(13-14-25-4-2)17-10-6-5-7-11-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate?
[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate has a molecular weight of 356.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate is sourced from PubChem (CID 54282539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).