N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide

C23H21N3O3 — CID 25237420

IUPACN-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21N3O3/c1-15-6-3-4-9-21(15)23(29)24-19-8-5-7-18(14-19)16(2)25-26-22(28)17-10-12-20(27)13-11-17/h3-14,27H,1-2H3,(H,24,29)(H,26,28)/b25-16+
InChIKeyDBHPCUIDYNYCGR-PCLIKHOPSA-N
MW387.44 g/mol
LogP4.11
Rot. Bonds5

About N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide

N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide (PubChem CID 25237420) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
PubChem CID25237420
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21N3O3/c1-15-6-3-4-9-21(15)23(29)24-19-8-5-7-18(14-19)16(2)25-26-22(28)17-10-12-20(27)13-11-17/h3-14,27H,1-2H3,(H,24,29)(H,26,28)/b25-16+
InChIKeyDBHPCUIDYNYCGR-PCLIKHOPSA-N
XLogP4.11
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide (CID 25237420) is N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide is C/C(=N\NC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
The InChIKey is DBHPCUIDYNYCGR-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15-6-3-4-9-21(15)23(29)24-19-8-5-7-18(14-19)16(2)25-26-22(28)17-10-12-20(27)13-11-17/h3-14,27H,1-2H3,(H,24,29)(H,26,28)/b25-16+.
What are the key properties of N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide?
N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide has a molecular weight of 387.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 25237420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).