3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide

C17H28N4O2 — CID 94759107

IUPAC3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NN2CCN(C)CC2)cc1N
InChIInChI=1S/C17H28N4O2/c1-13(2)23-16-6-4-14(12-15(16)18)5-7-17(22)19-21-10-8-20(3)9-11-21/h4,6,12-13H,5,7-11,18H2,1-3H3,(H,19,22)
InChIKeyVMXUNWKTRVBBIN-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.27
Rot. Bonds6

About 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide

3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 94759107) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID94759107
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NN2CCN(C)CC2)cc1N
InChIInChI=1S/C17H28N4O2/c1-13(2)23-16-6-4-14(12-15(16)18)5-7-17(22)19-21-10-8-20(3)9-11-21/h4,6,12-13H,5,7-11,18H2,1-3H3,(H,19,22)
InChIKeyVMXUNWKTRVBBIN-UHFFFAOYSA-N
XLogP1.27
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
CID 82152706
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071517
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
5-[3-(4-methylpiperidin-1-yl)propyl]-2-propan-2-yloxyaniline
CID 82070796
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide (CID 94759107) is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide is CC(C)Oc1ccc(CCC(=O)NN2CCN(C)CC2)cc1N.
What is the InChIKey of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is VMXUNWKTRVBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)23-16-6-4-14(12-15(16)18)5-7-17(22)19-21-10-8-20(3)9-11-21/h4,6,12-13H,5,7-11,18H2,1-3H3,(H,19,22).
What are the key properties of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide?
3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 94759107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).