4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

C16H17N3O2 — CID 43707293

IUPAC4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-9H,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyMSTHYNSNIULTHX-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.81
Rot. Bonds4

About 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (PubChem CID 43707293) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
PubChem CID43707293
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-9H,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyMSTHYNSNIULTHX-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-nitrobenzamide
CID 38402521
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 39862672
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 38404382
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (CID 43707293) is 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is CNC(=O)Cc1ccc(NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is MSTHYNSNIULTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-9H,10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 43707293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).