2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide

C23H28N2O3 — CID 4939471

IUPAC2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-8-10-19(11-9-16)28-18(3)22(26)24-21-7-5-4-6-20(21)23(27)25-14-12-17(2)13-15-25/h4-11,17-18H,12-15H2,1-3H3,(H,24,26)
InChIKeyCZWYAOVQCHEAEM-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide

2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide (PubChem CID 4939471) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
PubChem CID4939471
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-8-10-19(11-9-16)28-18(3)22(26)24-21-7-5-4-6-20(21)23(27)25-14-12-17(2)13-15-25/h4-11,17-18H,12-15H2,1-3H3,(H,24,26)
InChIKeyCZWYAOVQCHEAEM-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
2-(4-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4933116
2-(2,6-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4958548
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate
CID 17311893
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2,2-diphenylacetamide
CID 4939344
(2R)-2-(4-tert-butylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 26199060

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide (CID 4939471) is 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is CZWYAOVQCHEAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-8-10-19(11-9-16)28-18(3)22(26)24-21-7-5-4-6-20(21)23(27)25-14-12-17(2)13-15-25/h4-11,17-18H,12-15H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 4939471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).