4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide

C20H24N4O4 — CID 162653134

IUPAC4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H24N4O4/c1-13(25)24-17-8-7-16(20(27)23-10-2-9-21)11-18(17)28-12-14-3-5-15(6-4-14)19(22)26/h3-8,11H,2,9-10,12,21H2,1H3,(H2,22,26)(H,23,27)(H,24,25)
InChIKeyGIPATWDBLFRMHN-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.40
Rot. Bonds9

About 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide

4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide (PubChem CID 162653134) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide
PubChem CID162653134
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H24N4O4/c1-13(25)24-17-8-7-16(20(27)23-10-2-9-21)11-18(17)28-12-14-3-5-15(6-4-14)19(22)26/h3-8,11H,2,9-10,12,21H2,1H3,(H2,22,26)(H,23,27)(H,24,25)
InChIKeyGIPATWDBLFRMHN-UHFFFAOYSA-N
XLogP1.40
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(4-carbamoylphenyl)methoxy]benzamide?
The IUPAC name of 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide (CID 162653134) is 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide.
What is the SMILES notation for 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide?
The canonical SMILES for 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide is CC(=O)Nc1ccc(C(=O)NCCCN)cc1OCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide?
The InChIKey is GIPATWDBLFRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13(25)24-17-8-7-16(20(27)23-10-2-9-21)11-18(17)28-12-14-3-5-15(6-4-14)19(22)26/h3-8,11H,2,9-10,12,21H2,1H3,(H2,22,26)(H,23,27)(H,24,25).
What are the key properties of 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide?
4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide has a molecular weight of 384.44 g/mol, XLogP of 1.40, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-aminopropyl)-3-[(4-carbamoylphenyl)methoxy]benzamide is sourced from PubChem (CID 162653134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).