2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide

C19H24N4O3 — CID 88940996

IUPAC2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide
SMILESCCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25)
InChIKeyPBTXVZDJFSIFNB-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.05
Rot. Bonds8

About 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide

2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide (PubChem CID 88940996) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide
PubChem CID88940996
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide
SMILESCCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25)
InChIKeyPBTXVZDJFSIFNB-UHFFFAOYSA-N
XLogP2.05
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide?
The IUPAC name of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide (CID 88940996) is 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide?
The canonical SMILES for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide is CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide?
The InChIKey is PBTXVZDJFSIFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25).
What are the key properties of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide?
2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide has a molecular weight of 356.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide is sourced from PubChem (CID 88940996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).