3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide

C19H30ClN3O — CID 110414094

IUPAC3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H30ClN3O/c1-4-22-10-12-23(13-11-22)19(2,3)15-21-18(24)9-8-16-6-5-7-17(20)14-16/h5-7,14H,4,8-13,15H2,1-3H3,(H,21,24)
InChIKeyCHHIRBDIGNYVMS-UHFFFAOYSA-N
MW351.92 g/mol
LogP2.80
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide

3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide (PubChem CID 110414094) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
PubChem CID110414094
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H30ClN3O/c1-4-22-10-12-23(13-11-22)19(2,3)15-21-18(24)9-8-16-6-5-7-17(20)14-16/h5-7,14H,4,8-13,15H2,1-3H3,(H,21,24)
InChIKeyCHHIRBDIGNYVMS-UHFFFAOYSA-N
XLogP2.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea
CID 112504926
4-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 110427003
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
CID 112504938
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
CID 99999850

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide (CID 110414094) is 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide is CCN1CCN(C(C)(C)CNC(=O)CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide?
The InChIKey is CHHIRBDIGNYVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O/c1-4-22-10-12-23(13-11-22)19(2,3)15-21-18(24)9-8-16-6-5-7-17(20)14-16/h5-7,14H,4,8-13,15H2,1-3H3,(H,21,24).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide?
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide has a molecular weight of 351.92 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide is sourced from PubChem (CID 110414094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).