4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide

C17H19N3O3 — CID 166202390

IUPAC4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide
SMILESNc1ccc(C(=O)NCCC(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19N3O3/c18-14-5-3-13(4-6-14)17(23)19-10-9-16(22)20-11-12-1-7-15(21)8-2-12/h1-8,21H,9-11,18H2,(H,19,23)(H,20,22)
InChIKeyWTOOUIDUXCIJBD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.41
Rot. Bonds6

About 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide

4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 166202390) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide
PubChem CID166202390
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide
SMILESNc1ccc(C(=O)NCCC(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19N3O3/c18-14-5-3-13(4-6-14)17(23)19-10-9-16(22)20-11-12-1-7-15(21)8-2-12/h1-8,21H,9-11,18H2,(H,19,23)(H,20,22)
InChIKeyWTOOUIDUXCIJBD-UHFFFAOYSA-N
XLogP1.41
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 172913635
4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
CID 25402488
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide
CID 52851554
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide (CID 166202390) is 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide is Nc1ccc(C(=O)NCCC(=O)NCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is WTOOUIDUXCIJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-14-5-3-13(4-6-14)17(23)19-10-9-16(22)20-11-12-1-7-15(21)8-2-12/h1-8,21H,9-11,18H2,(H,19,23)(H,20,22).
What are the key properties of 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide?
4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 166202390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).