N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide

C17H27NO2 — CID 166921561

IUPACN-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide
SMILESCCCC(C)(C)CC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-5-11-17(2,3)13-16(19)18-12-10-14-6-8-15(20-4)9-7-14/h6-9H,5,10-13H2,1-4H3,(H,18,19)
InChIKeySWUZMSCOCYYWMZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.57
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide

N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide (PubChem CID 166921561) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide
PubChem CID166921561
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide
SMILESCCCC(C)(C)CC(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-5-11-17(2,3)13-16(19)18-12-10-14-6-8-15(20-4)9-7-14/h6-9H,5,10-13H2,1-4H3,(H,18,19)
InChIKeySWUZMSCOCYYWMZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide (CID 166921561) is N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide is CCCC(C)(C)CC(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide?
The InChIKey is SWUZMSCOCYYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-11-17(2,3)13-16(19)18-12-10-14-6-8-15(20-4)9-7-14/h6-9H,5,10-13H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide?
N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide has a molecular weight of 277.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylhexanamide is sourced from PubChem (CID 166921561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).