3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide

C19H28N2O3 — CID 44598774

IUPAC3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide
SMILESCOc1cccc2c1CCCC2CCCC(CC(N)=O)CC(N)=O
InChIInChI=1S/C19H28N2O3/c1-24-17-10-4-8-15-14(7-3-9-16(15)17)6-2-5-13(11-18(20)22)12-19(21)23/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyYJBPTHZBOJWKSE-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.65
Rot. Bonds9

About 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide

3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide (PubChem CID 44598774) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide.

Molecular Properties

Compound Name3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide
PubChem CID44598774
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide
SMILESCOc1cccc2c1CCCC2CCCC(CC(N)=O)CC(N)=O
InChIInChI=1S/C19H28N2O3/c1-24-17-10-4-8-15-14(7-3-9-16(15)17)6-2-5-13(11-18(20)22)12-19(21)23/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyYJBPTHZBOJWKSE-UHFFFAOYSA-N
XLogP2.65
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
CID 10830296
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10684798
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
4-cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperidine
CID 44598136
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
1-cyclohexyl-4-[6-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexyl]piperazine
CID 11281378
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
1-cyclohexyl-4-[3-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]piperazine
CID 11428679
1-(azidomethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 14437044
N-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
CID 129168538
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 118720491

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide?
The IUPAC name of 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide (CID 44598774) is 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide.
What is the SMILES notation for 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide?
The canonical SMILES for 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide is COc1cccc2c1CCCC2CCCC(CC(N)=O)CC(N)=O.
What is the InChIKey of 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide?
The InChIKey is YJBPTHZBOJWKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-24-17-10-4-8-15-14(7-3-9-16(15)17)6-2-5-13(11-18(20)22)12-19(21)23/h4,8,10,13-14H,2-3,5-7,9,11-12H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide?
3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide has a molecular weight of 332.44 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide is sourced from PubChem (CID 44598774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).