[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate

C15H22N2O3 — CID 28776

IUPAC[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate
SMILESCCCCCC(=O)Nc1cccc(OC(=O)NC)c1C
InChIInChI=1S/C15H22N2O3/c1-4-5-6-10-14(18)17-12-8-7-9-13(11(12)2)20-15(19)16-3/h7-9H,4-6,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRHNZNAMGDKZKCX-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.23
Rot. Bonds6

About [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate

[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate (PubChem CID 28776) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate
PubChem CID28776
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate
SMILESCCCCCC(=O)Nc1cccc(OC(=O)NC)c1C
InChIInChI=1S/C15H22N2O3/c1-4-5-6-10-14(18)17-12-8-7-9-13(11(12)2)20-15(19)16-3/h7-9H,4-6,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRHNZNAMGDKZKCX-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate?
The IUPAC name of [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate (CID 28776) is [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate.
What is the SMILES notation for [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate?
The canonical SMILES for [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate is CCCCCC(=O)Nc1cccc(OC(=O)NC)c1C.
What is the InChIKey of [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate?
The InChIKey is RHNZNAMGDKZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-5-6-10-14(18)17-12-8-7-9-13(11(12)2)20-15(19)16-3/h7-9H,4-6,10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate?
[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate has a molecular weight of 278.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate is sourced from PubChem (CID 28776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).