[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate

C25H28N2O3 — CID 102438515

IUPAC[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate
SMILESCCN(CC(COc1ccccc1)OC(=O)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C25H28N2O3/c1-3-27(22-14-10-11-20(2)17-22)18-24(19-29-23-15-8-5-9-16-23)30-25(28)26-21-12-6-4-7-13-21/h4-17,24H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyKCMHMMNALUOWNL-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.52
Rot. Bonds9

About [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate

[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate (PubChem CID 102438515) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate
PubChem CID102438515
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate
SMILESCCN(CC(COc1ccccc1)OC(=O)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C25H28N2O3/c1-3-27(22-14-10-11-20(2)17-22)18-24(19-29-23-15-8-5-9-16-23)30-25(28)26-21-12-6-4-7-13-21/h4-17,24H,3,18-19H2,1-2H3,(H,26,28)
InChIKeyKCMHMMNALUOWNL-UHFFFAOYSA-N
XLogP5.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
[2-(N-ethyl-3-methylanilino)-1-phenoxyethyl] formate
CID 88815475
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate
CID 27161633
3-(N-ethyl-3-methylanilino)-2-methyl-1-phenylpropan-1-ol
CID 62619514
N-(3-chlorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109008467
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
[2-[[4-methyl-3-[[1-(2-methylprop-2-enoyloxy)-3-phenoxypropan-2-yl]oxycarbonylamino]phenyl]carbamoyloxy]-3-phenoxypropyl] 2-methylprop-2-enoate
CID 89215935

Frequently Asked Questions

What is the IUPAC name of [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate?
The IUPAC name of [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate (CID 102438515) is [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate.
What is the SMILES notation for [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate?
The canonical SMILES for [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate is CCN(CC(COc1ccccc1)OC(=O)Nc1ccccc1)c1cccc(C)c1.
What is the InChIKey of [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate?
The InChIKey is KCMHMMNALUOWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-27(22-14-10-11-20(2)17-22)18-24(19-29-23-15-8-5-9-16-23)30-25(28)26-21-12-6-4-7-13-21/h4-17,24H,3,18-19H2,1-2H3,(H,26,28).
What are the key properties of [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate?
[1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate has a molecular weight of 404.51 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-ethyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate is sourced from PubChem (CID 102438515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).