5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide

C21H28N4O — CID 120647871

IUPAC5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc(N)ccc3C)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-3-24-10-12-25(13-11-24)15-17-5-8-19(9-6-17)23-21(26)20-14-18(22)7-4-16(20)2/h4-9,14H,3,10-13,15,22H2,1-2H3,(H,23,26)
InChIKeyQZPFIDGHSHSACB-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.97
Rot. Bonds5

About 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide

5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide (PubChem CID 120647871) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
PubChem CID120647871
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc(N)ccc3C)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-3-24-10-12-25(13-11-24)15-17-5-8-19(9-6-17)23-21(26)20-14-18(22)7-4-16(20)2/h4-9,14H,3,10-13,15,22H2,1-2H3,(H,23,26)
InChIKeyQZPFIDGHSHSACB-UHFFFAOYSA-N
XLogP2.97
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.97
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

5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 120620954
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
CID 68867201
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide (CID 120647871) is 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide is CCN1CCN(Cc2ccc(NC(=O)c3cc(N)ccc3C)cc2)CC1.
What is the InChIKey of 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide?
The InChIKey is QZPFIDGHSHSACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-24-10-12-25(13-11-24)15-17-5-8-19(9-6-17)23-21(26)20-14-18(22)7-4-16(20)2/h4-9,14H,3,10-13,15,22H2,1-2H3,(H,23,26).
What are the key properties of 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide?
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 120647871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).