4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide

C22H19N3O4 — CID 166195128

IUPAC4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC(C(N)=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O4/c23-20(26)15-6-10-17(11-7-15)29-18-12-8-16(9-13-18)22(28)25-19(21(24)27)14-4-2-1-3-5-14/h1-13,19H,(H2,23,26)(H2,24,27)(H,25,28)
InChIKeyLRCLTZFJIVXOHM-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.53
Rot. Bonds7

About 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide

4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide (PubChem CID 166195128) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
PubChem CID166195128
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC(C(N)=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O4/c23-20(26)15-6-10-17(11-7-15)29-18-12-8-16(9-13-18)22(28)25-19(21(24)27)14-4-2-1-3-5-14/h1-13,19H,(H2,23,26)(H2,24,27)(H,25,28)
InChIKeyLRCLTZFJIVXOHM-UHFFFAOYSA-N
XLogP2.53
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide (CID 166195128) is 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NC(C(N)=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide?
The InChIKey is LRCLTZFJIVXOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c23-20(26)15-6-10-17(11-7-15)29-18-12-8-16(9-13-18)22(28)25-19(21(24)27)14-4-2-1-3-5-14/h1-13,19H,(H2,23,26)(H2,24,27)(H,25,28).
What are the key properties of 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide?
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide has a molecular weight of 389.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 166195128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).