7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide

C19H29N3O3 — CID 88582541

IUPAC7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide
SMILESCCCCNCCCNC(=O)c1ccc2c(c1)CC(C(=O)NO)CC2
InChIInChI=1S/C19H29N3O3/c1-2-3-9-20-10-4-11-21-18(23)15-7-5-14-6-8-16(19(24)22-25)13-17(14)12-15/h5,7,12,16,20,25H,2-4,6,8-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyJSBDIVXFHFJLTQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.81
Rot. Bonds9

About 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide

7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide (PubChem CID 88582541) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide
PubChem CID88582541
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide
SMILESCCCCNCCCNC(=O)c1ccc2c(c1)CC(C(=O)NO)CC2
InChIInChI=1S/C19H29N3O3/c1-2-3-9-20-10-4-11-21-18(23)15-7-5-14-6-8-16(19(24)22-25)13-17(14)12-15/h5,7,12,16,20,25H,2-4,6,8-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyJSBDIVXFHFJLTQ-UHFFFAOYSA-N
XLogP1.81
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide?
The IUPAC name of 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide (CID 88582541) is 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide?
The canonical SMILES for 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide is CCCCNCCCNC(=O)c1ccc2c(c1)CC(C(=O)NO)CC2.
What is the InChIKey of 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide?
The InChIKey is JSBDIVXFHFJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-3-9-20-10-4-11-21-18(23)15-7-5-14-6-8-16(19(24)22-25)13-17(14)12-15/h5,7,12,16,20,25H,2-4,6,8-11,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide?
7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.81, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-(butylamino)propyl]-2-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 88582541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).