4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane

C18H27N3O2 — CID 145495797

IUPAC4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
SMILESCCC.CNC.Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C13H12N2O2.C3H8.C2H7N/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(16)8-6-11;2*1-3-2/h1-8,16H,14H2,(H,15,17);3H2,1-2H3;3H,1-2H3
InChIKeyBEBFSPHSOBWGPS-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.48
Rot. Bonds2

About 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane

4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane (PubChem CID 145495797) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane.

Molecular Properties

Compound Name4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
PubChem CID145495797
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
SMILESCCC.CNC.Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C13H12N2O2.C3H8.C2H7N/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(16)8-6-11;2*1-3-2/h1-8,16H,14H2,(H,15,17);3H2,1-2H3;3H,1-2H3
InChIKeyBEBFSPHSOBWGPS-UHFFFAOYSA-N
XLogP3.48
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 139769454
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane?
The IUPAC name of 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane (CID 145495797) is 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane.
What is the SMILES notation for 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane?
The canonical SMILES for 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane is CCC.CNC.Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane?
The InChIKey is BEBFSPHSOBWGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2.C3H8.C2H7N/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(16)8-6-11;2*1-3-2/h1-8,16H,14H2,(H,15,17);3H2,1-2H3;3H,1-2H3.
What are the key properties of 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane?
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane has a molecular weight of 317.43 g/mol, XLogP of 3.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane is sourced from PubChem (CID 145495797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).