2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide

C17H27N3O2 — CID 71993662

IUPAC2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14(2)17(21)18-15-4-6-16(7-5-15)22-13-12-20-10-8-19(3)9-11-20/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyPWMOWVUUPSHGCV-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.91
Rot. Bonds6

About 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide

2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide (PubChem CID 71993662) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
PubChem CID71993662
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14(2)17(21)18-15-4-6-16(7-5-15)22-13-12-20-10-8-19(3)9-11-20/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyPWMOWVUUPSHGCV-UHFFFAOYSA-N
XLogP1.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butanamide
CID 119903588
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]but-2-enamide
CID 71993668
(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide
CID 75407986
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
CID 110314912
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 9259058
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
CID 163343246
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide (CID 71993662) is 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide is CC(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
The InChIKey is PWMOWVUUPSHGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)17(21)18-15-4-6-16(7-5-15)22-13-12-20-10-8-19(3)9-11-20/h4-7,14H,8-13H2,1-3H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 71993662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).