4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide

C15H24N4O3 — CID 164563637

IUPAC4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide
SMILESCNC(=O)c1cc(OCCO)c(N)cc1N1CCN(C)CC1
InChIInChI=1S/C15H24N4O3/c1-17-15(21)11-9-14(22-8-7-20)12(16)10-13(11)19-5-3-18(2)4-6-19/h9-10,20H,3-8,16H2,1-2H3,(H,17,21)
InChIKeyXFMXROCJPFCNEP-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.25
Rot. Bonds5

About 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide

4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 164563637) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide
PubChem CID164563637
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide
SMILESCNC(=O)c1cc(OCCO)c(N)cc1N1CCN(C)CC1
InChIInChI=1S/C15H24N4O3/c1-17-15(21)11-9-14(22-8-7-20)12(16)10-13(11)19-5-3-18(2)4-6-19/h9-10,20H,3-8,16H2,1-2H3,(H,17,21)
InChIKeyXFMXROCJPFCNEP-UHFFFAOYSA-N
XLogP-0.25
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-butyl-6-methoxy-7-morpholin-4-yl-4-oxoquinoline-3-carboxamide
CID 145957632
Benzamide, 5-ethoxy-2-((2-(4-phenyl-1-piperazinyl)ethyl)amino)-
CID 3050166
4-Acetamido-N-[(3-ethoxyphenyl)methyl]-2-(piperidin-1-YL)benzamide
CID 53145956
4-amino-5-ethoxy-2-fluoro-N-(1-methyl-4-piperidyl)benzamide
CID 68684038
N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide
CID 90153646
2,2,2-trifluoro-N-[2-methoxy-4-(morpholine-4-carbonyl)-5-nitrophenyl]acetamide
CID 122666886
2,2,2-trifluoro-N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)-5-nitrophenyl]acetamide
CID 141538692
N-[4-methoxy-2-(4-methylpiperazine-1-carbonyl)-5-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 141538700
N-[5-amino-2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-2,2,2-trifluoroacetamide
CID 141538733
[2-Fluoro-5-methoxy-4-(methylamino)phenyl]-morpholin-4-ylmethanone
CID 145213488
[5-Methoxy-2-nitro-4-(3,3,3-trifluoroprop-1-en-2-ylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 163671024
4-(ethylamino)-2-fluoro-5-(2-hydroxyethoxy)-N-methylbenzamide
CID 169633664

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide (CID 164563637) is 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide is CNC(=O)c1cc(OCCO)c(N)cc1N1CCN(C)CC1.
What is the InChIKey of 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is XFMXROCJPFCNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17-15(21)11-9-14(22-8-7-20)12(16)10-13(11)19-5-3-18(2)4-6-19/h9-10,20H,3-8,16H2,1-2H3,(H,17,21).
What are the key properties of 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide?
4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 308.38 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 164563637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).