N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide

C17H27NO2 — CID 100743522

IUPACN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-15(18-16(19)17(3,4)5)13-7-9-14(20-6)10-8-13/h7-10,12,15H,11H2,1-6H3,(H,18,19)/t15-/m0/s1
InChIKeyPSKGCSPESXPUJY-HNNXBMFYSA-N
MW277.41 g/mol
LogP3.94
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide

N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide (PubChem CID 100743522) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide
PubChem CID100743522
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-15(18-16(19)17(3,4)5)13-7-9-14(20-6)10-8-13/h7-10,12,15H,11H2,1-6H3,(H,18,19)/t15-/m0/s1
InChIKeyPSKGCSPESXPUJY-HNNXBMFYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28566665
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide (CID 100743522) is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide is COc1ccc([C@H](CC(C)C)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide?
The InChIKey is PSKGCSPESXPUJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)11-15(18-16(19)17(3,4)5)13-7-9-14(20-6)10-8-13/h7-10,12,15H,11H2,1-6H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide?
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100743522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).