4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

C15H20ClNO2 — CID 129365353

IUPAC4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCCl
InChIInChI=1S/C15H20ClNO2/c1-19-12-7-8-13-11(10-12)4-2-5-14(13)17-15(18)6-3-9-16/h7-8,10,14H,2-6,9H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyHOEQRIKVAYNCNL-AWEZNQCLSA-N
MW281.78 g/mol
LogP3.21
Rot. Bonds5

About 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (PubChem CID 129365353) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
PubChem CID129365353
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCCl
InChIInChI=1S/C15H20ClNO2/c1-19-12-7-8-13-11(10-12)4-2-5-14(13)17-15(18)6-3-9-16/h7-8,10,14H,2-6,9H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyHOEQRIKVAYNCNL-AWEZNQCLSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxy-N-methylsulfonylanilino)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 125063902
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133265367
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125176327
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 133202125
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-morpholin-4-ylacetamide
CID 91793858
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
2-(5-acetylthiophen-3-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 125178703
2-(4-ethoxy-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895646

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The IUPAC name of 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (CID 129365353) is 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The canonical SMILES for 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The InChIKey is HOEQRIKVAYNCNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-12-7-8-13-11(10-12)4-2-5-14(13)17-15(18)6-3-9-16/h7-8,10,14H,2-6,9H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide has a molecular weight of 281.78 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is sourced from PubChem (CID 129365353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).