phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate

C19H22N2O3 — CID 108574231

IUPACphenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
SMILESCc1ccc(CCC(=O)NCCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-7-9-16(10-8-15)11-12-18(22)20-13-14-21-19(23)24-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyMSIZOPUVSJDUAO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.83
Rot. Bonds7

About phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate

phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate (PubChem CID 108574231) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
PubChem CID108574231
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namephenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
SMILESCc1ccc(CCC(=O)NCCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-7-9-16(10-8-15)11-12-18(22)20-13-14-21-19(23)24-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyMSIZOPUVSJDUAO-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.83
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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Related Compounds

3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
CID 110670571
phenyl N-(2-phenylethyl)carbamate
CID 12632743
[3-[2-[3-(4-methylphenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108537502
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate (CID 108574231) is phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate is Cc1ccc(CCC(=O)NCCNC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate?
The InChIKey is MSIZOPUVSJDUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-7-9-16(10-8-15)11-12-18(22)20-13-14-21-19(23)24-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate?
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate is sourced from PubChem (CID 108574231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).