4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide

C18H21N3O3 — CID 162646077

IUPAC4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCN)cc1OCc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-16-8-7-15(18(23)20-10-9-19)11-17(16)24-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyJZXRHSLBZKYDGV-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.91
Rot. Bonds7

About 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide

4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide (PubChem CID 162646077) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide
PubChem CID162646077
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCN)cc1OCc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-16-8-7-15(18(23)20-10-9-19)11-17(16)24-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyJZXRHSLBZKYDGV-UHFFFAOYSA-N
XLogP1.91
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide?
The IUPAC name of 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide (CID 162646077) is 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide?
The canonical SMILES for 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide is CC(=O)Nc1ccc(C(=O)NCCN)cc1OCc1ccccc1.
What is the InChIKey of 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide?
The InChIKey is JZXRHSLBZKYDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21-16-8-7-15(18(23)20-10-9-19)11-17(16)24-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide?
4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-aminoethyl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 162646077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).