N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

C17H27N3O — CID 719536

IUPACN-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-9-11-20(12-10-19)8-7-17(21)18-16-13-14(2)5-6-15(16)3/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeySKGRHABFAYWXQH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.27
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide

N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 719536) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
PubChem CID719536
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-9-11-20(12-10-19)8-7-17(21)18-16-13-14(2)5-6-15(16)3/h5-6,13H,4,7-12H2,1-3H3,(H,18,21)
InChIKeySKGRHABFAYWXQH-UHFFFAOYSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide (CID 719536) is N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(CCC(=O)Nc2cc(C)ccc2C)CC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is SKGRHABFAYWXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19-9-11-20(12-10-19)8-7-17(21)18-16-13-14(2)5-6-15(16)3/h5-6,13H,4,7-12H2,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 719536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).