3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide

C25H32N2O — CID 144651575

IUPAC3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide
SMILESC=C(C)/C=C\C(=C/C)NC(=O)CCc1ccc2cc(CCCCN)ccc2c1
InChIInChI=1S/C25H32N2O/c1-4-24(14-8-19(2)3)27-25(28)15-11-21-10-13-22-17-20(7-5-6-16-26)9-12-23(22)18-21/h4,8-10,12-14,17-18H,2,5-7,11,15-16,26H2,1,3H3,(H,27,28)/b14-8-,24-4+
InChIKeyIPADWQNZKZONTF-MNWFSYBSSA-N
MW376.54 g/mol
LogP5.21
Rot. Bonds10

About 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide

3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide (PubChem CID 144651575) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide.

Molecular Properties

Compound Name3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide
PubChem CID144651575
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide
SMILESC=C(C)/C=C\C(=C/C)NC(=O)CCc1ccc2cc(CCCCN)ccc2c1
InChIInChI=1S/C25H32N2O/c1-4-24(14-8-19(2)3)27-25(28)15-11-21-10-13-22-17-20(7-5-6-16-26)9-12-23(22)18-21/h4,8-10,12-14,17-18H,2,5-7,11,15-16,26H2,1,3H3,(H,27,28)/b14-8-,24-4+
InChIKeyIPADWQNZKZONTF-MNWFSYBSSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
The IUPAC name of 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide (CID 144651575) is 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide.
What is the SMILES notation for 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
The canonical SMILES for 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide is C=C(C)/C=C\C(=C/C)NC(=O)CCc1ccc2cc(CCCCN)ccc2c1.
What is the InChIKey of 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
The InChIKey is IPADWQNZKZONTF-MNWFSYBSSA-N. The full InChI is InChI=1S/C25H32N2O/c1-4-24(14-8-19(2)3)27-25(28)15-11-21-10-13-22-17-20(7-5-6-16-26)9-12-23(22)18-21/h4,8-10,12-14,17-18H,2,5-7,11,15-16,26H2,1,3H3,(H,27,28)/b14-8-,24-4+.
What are the key properties of 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide?
3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide has a molecular weight of 376.54 g/mol, XLogP of 5.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-aminobutyl)naphthalen-2-yl]-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]propanamide is sourced from PubChem (CID 144651575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).