2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide

C23H39N3O3 — CID 44555464

IUPAC2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide
SMILESCCCCCCCC(O)(C(N)=O)c1cc(C)c(NC(=O)CN(CC)CC)c(C)c1
InChIInChI=1S/C23H39N3O3/c1-6-9-10-11-12-13-23(29,22(24)28)19-14-17(4)21(18(5)15-19)25-20(27)16-26(7-2)8-3/h14-15,29H,6-13,16H2,1-5H3,(H2,24,28)(H,25,27)
InChIKeyZIJDOQLXUXBSOM-UHFFFAOYSA-N
MW405.58 g/mol
LogP3.62
Rot. Bonds13

About 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide

2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide (PubChem CID 44555464) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide.

Molecular Properties

Compound Name2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide
PubChem CID44555464
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide
SMILESCCCCCCCC(O)(C(N)=O)c1cc(C)c(NC(=O)CN(CC)CC)c(C)c1
InChIInChI=1S/C23H39N3O3/c1-6-9-10-11-12-13-23(29,22(24)28)19-14-17(4)21(18(5)15-19)25-20(27)16-26(7-2)8-3/h14-15,29H,6-13,16H2,1-5H3,(H2,24,28)(H,25,27)
InChIKeyZIJDOQLXUXBSOM-UHFFFAOYSA-N
XLogP3.62
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 53.62
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 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide?
The IUPAC name of 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide (CID 44555464) is 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide.
What is the SMILES notation for 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide?
The canonical SMILES for 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide is CCCCCCCC(O)(C(N)=O)c1cc(C)c(NC(=O)CN(CC)CC)c(C)c1.
What is the InChIKey of 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide?
The InChIKey is ZIJDOQLXUXBSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-6-9-10-11-12-13-23(29,22(24)28)19-14-17(4)21(18(5)15-19)25-20(27)16-26(7-2)8-3/h14-15,29H,6-13,16H2,1-5H3,(H2,24,28)(H,25,27).
What are the key properties of 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide?
2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide has a molecular weight of 405.58 g/mol, XLogP of 3.62, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide is sourced from PubChem (CID 44555464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).