N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide

C21H26N2O4 — CID 45483621

IUPACN-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide
SMILESCCN(CCCN(CC)C(=O)c1ccc(O)cc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C21H26N2O4/c1-3-22(20(26)16-6-10-18(24)11-7-16)14-5-15-23(4-2)21(27)17-8-12-19(25)13-9-17/h6-13,24-25H,3-5,14-15H2,1-2H3
InChIKeyCUQKWYCNOCMMDW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.11
Rot. Bonds8

About N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide

N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide (PubChem CID 45483621) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide
PubChem CID45483621
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide
SMILESCCN(CCCN(CC)C(=O)c1ccc(O)cc1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C21H26N2O4/c1-3-22(20(26)16-6-10-18(24)11-7-16)14-5-15-23(4-2)21(27)17-8-12-19(25)13-9-17/h6-13,24-25H,3-5,14-15H2,1-2H3
InChIKeyCUQKWYCNOCMMDW-UHFFFAOYSA-N
XLogP3.11
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide?
The IUPAC name of N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide (CID 45483621) is N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide.
What is the SMILES notation for N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide?
The canonical SMILES for N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide is CCN(CCCN(CC)C(=O)c1ccc(O)cc1)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide?
The InChIKey is CUQKWYCNOCMMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-22(20(26)16-6-10-18(24)11-7-16)14-5-15-23(4-2)21(27)17-8-12-19(25)13-9-17/h6-13,24-25H,3-5,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide?
N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[ethyl-(4-hydroxybenzoyl)amino]propyl]-4-hydroxybenzamide is sourced from PubChem (CID 45483621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).