3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide

C20H25N3O3 — CID 31874270

IUPAC3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2cccc(NC(=O)NC(C)C)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)21-20(25)23-17-6-4-5-16(13-17)22-19(24)11-12-26-18-9-7-15(3)8-10-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyQDXVICCZBMHRQW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.93
Rot. Bonds7

About 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide

3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 31874270) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID31874270
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2cccc(NC(=O)NC(C)C)c2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)21-20(25)23-17-6-4-5-16(13-17)22-19(24)11-12-26-18-9-7-15(3)8-10-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyQDXVICCZBMHRQW-UHFFFAOYSA-N
XLogP3.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802826
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
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CID 108933281
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenoxy)butanamide
CID 108768505
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650177
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(3-methylphenyl)acetamide
CID 40545696
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 31874270) is 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide is Cc1ccc(OCCC(=O)Nc2cccc(NC(=O)NC(C)C)c2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is QDXVICCZBMHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)21-20(25)23-17-6-4-5-16(13-17)22-19(24)11-12-26-18-9-7-15(3)8-10-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,24)(H2,21,23,25).
What are the key properties of 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide?
3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 31874270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).