N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide

C20H33N3O2 — CID 111695353

IUPACN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)N(C)CC(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-16-6-8-17(9-7-16)20(2,3)19(25)22(5)14-18(24)15-23-12-10-21(4)11-13-23/h6-9,18,24H,10-15H2,1-5H3
InChIKeyRYYJYNLUUGYRNZ-UHFFFAOYSA-N
MW347.50 g/mol
LogP1.34
Rot. Bonds6

About N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide (PubChem CID 111695353) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide
PubChem CID111695353
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)N(C)CC(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-16-6-8-17(9-7-16)20(2,3)19(25)22(5)14-18(24)15-23-12-10-21(4)11-13-23/h6-9,18,24H,10-15H2,1-5H3
InChIKeyRYYJYNLUUGYRNZ-UHFFFAOYSA-N
XLogP1.34
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,4-trimethylbenzamide
CID 111695266
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3-dimethyl-3-(4-methylphenyl)butanamide
CID 111912473
3-(2,4-dimethylphenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695243
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 111695348
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,5-trimethylfuran-3-carboxamide
CID 111695242
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
CID 111695265
4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide
CID 111695269
2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide
CID 166191408
3-[2-(dimethylamino)phenyl]-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636394
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 111695291
3-(3,5-difluorophenyl)-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636392
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide (CID 111695353) is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide is Cc1ccc(C(C)(C)C(=O)N(C)CC(O)CN2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide?
The InChIKey is RYYJYNLUUGYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-6-8-17(9-7-16)20(2,3)19(25)22(5)14-18(24)15-23-12-10-21(4)11-13-23/h6-9,18,24H,10-15H2,1-5H3.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide?
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide has a molecular weight of 347.50 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2-dimethyl-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 111695353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).