4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide

C20H25N3O3 — CID 162664418

IUPAC4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCN)cc1OC(C)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(16-7-4-3-5-8-16)26-19-13-17(20(25)22-12-6-11-21)9-10-18(19)23-15(2)24/h3-5,7-10,13-14H,6,11-12,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXJSAETZQYBFQPL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.86
Rot. Bonds8

About 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide

4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide (PubChem CID 162664418) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide
PubChem CID162664418
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCN)cc1OC(C)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(16-7-4-3-5-8-16)26-19-13-17(20(25)22-12-6-11-21)9-10-18(19)23-15(2)24/h3-5,7-10,13-14H,6,11-12,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXJSAETZQYBFQPL-UHFFFAOYSA-N
XLogP2.86
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide?
The IUPAC name of 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide (CID 162664418) is 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide.
What is the SMILES notation for 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide?
The canonical SMILES for 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide is CC(=O)Nc1ccc(C(=O)NCCCN)cc1OC(C)c1ccccc1.
What is the InChIKey of 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide?
The InChIKey is XJSAETZQYBFQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(16-7-4-3-5-8-16)26-19-13-17(20(25)22-12-6-11-21)9-10-18(19)23-15(2)24/h3-5,7-10,13-14H,6,11-12,21H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide?
4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-aminopropyl)-3-(1-phenylethoxy)benzamide is sourced from PubChem (CID 162664418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).