3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide

C20H23ClN2O3 — CID 54789970

IUPAC3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1cc(OCC(=O)N(CCC(N)=O)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-15-13-17(7-8-18(15)21)26-14-20(25)23(12-10-19(22)24)11-9-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H2,22,24)
InChIKeyBLWFXDAMZBZNFQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.97
Rot. Bonds9

About 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide

3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 54789970) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID54789970
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1cc(OCC(=O)N(CCC(N)=O)CCc2ccccc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O3/c1-15-13-17(7-8-18(15)21)26-14-20(25)23(12-10-19(22)24)11-9-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H2,22,24)
InChIKeyBLWFXDAMZBZNFQ-UHFFFAOYSA-N
XLogP2.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 54790002
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132665272
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
CID 27899305
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100606971
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
N-(2-aminoethyl)-2-(2-chlorophenoxy)-N-(2-phenylethyl)acetamide
CID 120885508
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032339
N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
CID 54789845

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide (CID 54789970) is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide is Cc1cc(OCC(=O)N(CCC(N)=O)CCc2ccccc2)ccc1Cl.
What is the InChIKey of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is BLWFXDAMZBZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15-13-17(7-8-18(15)21)26-14-20(25)23(12-10-19(22)24)11-9-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H2,22,24).
What are the key properties of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 374.87 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 54789970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).