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

C16H26N4O2 — CID 119903586

IUPAC(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N4O2/c1-13(17)16(21)18-14-3-5-15(6-4-14)22-12-11-20-9-7-19(2)8-10-20/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyOWWBMBWPUUPBHZ-CYBMUJFWSA-N
MW306.41 g/mol
LogP0.60
Rot. Bonds6

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

(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide (PubChem CID 119903586) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
PubChem CID119903586
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N4O2/c1-13(17)16(21)18-14-3-5-15(6-4-14)22-12-11-20-9-7-19(2)8-10-20/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyOWWBMBWPUUPBHZ-CYBMUJFWSA-N
XLogP0.60
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
(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
(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide
CID 119897847
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]but-2-enamide
CID 71993668
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
(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
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 9259058
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
CID 119860866

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide (CID 119903586) is (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
The InChIKey is OWWBMBWPUUPBHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(17)16(21)18-14-3-5-15(6-4-14)22-12-11-20-9-7-19(2)8-10-20/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide?
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 119903586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).