N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

C24H32ClN3O2 — CID 55540699

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(C(C)C(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1
InChIInChI=1S/C24H32ClN3O2/c1-5-30-21-8-6-20(7-9-21)16-27-10-12-28(13-11-27)19(4)24(29)26-23-18(3)14-17(2)15-22(23)25/h6-9,14-15,19H,5,10-13,16H2,1-4H3,(H,26,29)
InChIKeyLVIGOUDFJQKZNO-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.50
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide

N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 55540699) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID55540699
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccc(CN2CCN(C(C)C(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1
InChIInChI=1S/C24H32ClN3O2/c1-5-30-21-8-6-20(7-9-21)16-27-10-12-28(13-11-27)19(4)24(29)26-23-18(3)14-17(2)15-22(23)25/h6-9,14-15,19H,5,10-13,16H2,1-4H3,(H,26,29)
InChIKeyLVIGOUDFJQKZNO-UHFFFAOYSA-N
XLogP4.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
N-(2-chloro-4-fluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470118
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
N-(2,4-difluorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470481
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432378
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
N-(benzylcarbamoyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470639
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 78896879

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 55540699) is N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is CCOc1ccc(CN2CCN(C(C)C(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is LVIGOUDFJQKZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-5-30-21-8-6-20(7-9-21)16-27-10-12-28(13-11-27)19(4)24(29)26-23-18(3)14-17(2)15-22(23)25/h6-9,14-15,19H,5,10-13,16H2,1-4H3,(H,26,29).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 429.99 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55540699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).