N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide

C23H31N3O2 — CID 55432378

IUPACN-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-28-22-11-9-21(10-12-22)24-23(27)19(3)26-15-13-25(14-16-26)17-20-8-6-5-7-18(20)2/h5-12,19H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyHNIQOFFWHKXUOQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.54
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide

N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 55432378) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID55432378
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-28-22-11-9-21(10-12-22)24-23(27)19(3)26-15-13-25(14-16-26)17-20-8-6-5-7-18(20)2/h5-12,19H,4,13-17H2,1-3H3,(H,24,27)
InChIKeyHNIQOFFWHKXUOQ-UHFFFAOYSA-N
XLogP3.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30620929
N-(4-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 55511224
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55540699

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide (CID 55432378) is N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide is CCOc1ccc(NC(=O)C(C)N2CCN(Cc3ccccc3C)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is HNIQOFFWHKXUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-28-22-11-9-21(10-12-22)24-23(27)19(3)26-15-13-25(14-16-26)17-20-8-6-5-7-18(20)2/h5-12,19H,4,13-17H2,1-3H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55432378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).