N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide

C16H26N4O — CID 61430147

IUPACN-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
SMILESCC(C)(C)N1CCN(CC(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-10-8-19(9-11-20)12-15(21)18-14-7-5-4-6-13(14)17/h4-7H,8-12,17H2,1-3H3,(H,18,21)
InChIKeyNTAOVBSPUWBBEG-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.62
Rot. Bonds3

About N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide

N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide (PubChem CID 61430147) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
PubChem CID61430147
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
SMILESCC(C)(C)N1CCN(CC(=O)Nc2ccccc2N)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-10-8-19(9-11-20)12-15(21)18-14-7-5-4-6-13(14)17/h4-7H,8-12,17H2,1-3H3,(H,18,21)
InChIKeyNTAOVBSPUWBBEG-UHFFFAOYSA-N
XLogP1.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430101
N-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592397
N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66393018
N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81463910
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide
CID 43252636
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide (CID 61430147) is N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide is CC(C)(C)N1CCN(CC(=O)Nc2ccccc2N)CC1.
What is the InChIKey of N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
The InChIKey is NTAOVBSPUWBBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)20-10-8-19(9-11-20)12-15(21)18-14-7-5-4-6-13(14)17/h4-7H,8-12,17H2,1-3H3,(H,18,21).
What are the key properties of N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide is sourced from PubChem (CID 61430147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).