2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide

C19H32N4O3 — CID 167881803

IUPAC2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide
SMILESCCOc1cc(NC(=O)C(N)CCN2CCN(C)CC2)cc(OCC)c1
InChIInChI=1S/C19H32N4O3/c1-4-25-16-12-15(13-17(14-16)26-5-2)21-19(24)18(20)6-7-23-10-8-22(3)9-11-23/h12-14,18H,4-11,20H2,1-3H3,(H,21,24)
InChIKeyFGNDKPSRLHIJPH-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.39
Rot. Bonds9

About 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide

2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide (PubChem CID 167881803) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide
PubChem CID167881803
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide
SMILESCCOc1cc(NC(=O)C(N)CCN2CCN(C)CC2)cc(OCC)c1
InChIInChI=1S/C19H32N4O3/c1-4-25-16-12-15(13-17(14-16)26-5-2)21-19(24)18(20)6-7-23-10-8-22(3)9-11-23/h12-14,18H,4-11,20H2,1-3H3,(H,21,24)
InChIKeyFGNDKPSRLHIJPH-UHFFFAOYSA-N
XLogP1.39
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-amino-4-(4-methylpiperazin-1-yl)butanoate
CID 94964874
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butanamide
CID 119903588
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
CID 170862115
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
ethyl 2-amino-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanoate
CID 170886092
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide (CID 167881803) is 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide is CCOc1cc(NC(=O)C(N)CCN2CCN(C)CC2)cc(OCC)c1.
What is the InChIKey of 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is FGNDKPSRLHIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-4-25-16-12-15(13-17(14-16)26-5-2)21-19(24)18(20)6-7-23-10-8-22(3)9-11-23/h12-14,18H,4-11,20H2,1-3H3,(H,21,24).
What are the key properties of 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide?
2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 364.49 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-diethoxyphenyl)-4-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 167881803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).