N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide

C16H23NO2 — CID 10467843

IUPACN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide
SMILESCCCC(=O)NCC1CCCc2ccc(OC)cc21
InChIInChI=1S/C16H23NO2/c1-3-5-16(18)17-11-13-7-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyBWKXRHHGBCWDDH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide

N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide (PubChem CID 10467843) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide
PubChem CID10467843
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide
SMILESCCCC(=O)NCC1CCCc2ccc(OC)cc21
InChIInChI=1S/C16H23NO2/c1-3-5-16(18)17-11-13-7-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyBWKXRHHGBCWDDH-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide 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

Agomelatine
CID 82148
Embutramide
CID 27453
AJ 76
CID 122334
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, 4-chloro-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071634
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-(3-(3-methoxyphenyl)propyl)acetamide
CID 10750842
CID 11185529
CID 11185529

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide?
The IUPAC name of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide (CID 10467843) is N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide.
What is the SMILES notation for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide?
The canonical SMILES for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide is CCCC(=O)NCC1CCCc2ccc(OC)cc21.
What is the InChIKey of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide?
The InChIKey is BWKXRHHGBCWDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-16(18)17-11-13-7-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide?
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide has a molecular weight of 261.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]butanamide is sourced from PubChem (CID 10467843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).