N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide

C18H19N3O4 — CID 832667

IUPACN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H19N3O4/c1-12(22)19-15-7-5-14(6-8-15)18(24)21-20-17(23)11-13-3-9-16(25-2)10-4-13/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyQYHIMSNNPAORRX-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.66
Rot. Bonds5

About N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide

N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide (PubChem CID 832667) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide
PubChem CID832667
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H19N3O4/c1-12(22)19-15-7-5-14(6-8-15)18(24)21-20-17(23)11-13-3-9-16(25-2)10-4-13/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyQYHIMSNNPAORRX-UHFFFAOYSA-N
XLogP1.66
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide (CID 832667) is N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide is COc1ccc(CC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide?
The InChIKey is QYHIMSNNPAORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(22)19-15-7-5-14(6-8-15)18(24)21-20-17(23)11-13-3-9-16(25-2)10-4-13/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide?
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 832667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).