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

C19H31N3O — CID 112504915

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-21-12-14-22(15-13-21)19(2,3)16-20-18(23)11-10-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3,(H,20,23)
InChIKeyLXKUTGXNFLNDTM-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.15
Rot. Bonds7

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

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide (PubChem CID 112504915) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
PubChem CID112504915
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
SMILESCCN1CCN(C(C)(C)CNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-21-12-14-22(15-13-21)19(2,3)16-20-18(23)11-10-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3,(H,20,23)
InChIKeyLXKUTGXNFLNDTM-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-4-methyl-4-phenylpentanamide
CID 110353519
benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
CID 112504938
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide
CID 112504986
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917
1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622652
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110622654
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 110622638
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide (CID 112504915) is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide is CCN1CCN(C(C)(C)CNC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide?
The InChIKey is LXKUTGXNFLNDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-21-12-14-22(15-13-21)19(2,3)16-20-18(23)11-10-17-8-6-5-7-9-17/h5-9H,4,10-16H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide?
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide is sourced from PubChem (CID 112504915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).