2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

C19H31N3O — CID 7384743

IUPAC2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc([C@@H](CNC(=O)C(C)(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-15-6-8-16(9-7-15)17(14-20-18(23)19(2,3)4)22-12-10-21(5)11-13-22/h6-9,17H,10-14H2,1-5H3,(H,20,23)/t17-/m1/s1
InChIKeyVFLCZVKUCMHMRC-QGZVFWFLSA-N
MW317.48 g/mol
LogP2.45
Rot. Bonds4

About 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 7384743) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID7384743
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc([C@@H](CNC(=O)C(C)(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N3O/c1-15-6-8-16(9-7-15)17(14-20-18(23)19(2,3)4)22-12-10-21(5)11-13-22/h6-9,17H,10-14H2,1-5H3,(H,20,23)/t17-/m1/s1
InChIKeyVFLCZVKUCMHMRC-QGZVFWFLSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 43956751
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639
N'-(4-acetamidophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578378
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
N-[(4-fluorophenyl)methyl]-N'-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578340
1-(4-chlorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18578202
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 30632006
3-chloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 7497289
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
(E)-2-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 110302966
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622327

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 7384743) is 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is Cc1ccc([C@@H](CNC(=O)C(C)(C)C)N2CCN(C)CC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is VFLCZVKUCMHMRC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-6-8-16(9-7-15)17(14-20-18(23)19(2,3)4)22-12-10-21(5)11-13-22/h6-9,17H,10-14H2,1-5H3,(H,20,23)/t17-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 317.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 7384743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).