6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide

C17H28N2O2 — CID 65290667

IUPAC6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
SMILESCCOc1cccc(CNC(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C17H28N2O2/c1-4-21-15-7-5-6-14(12-15)13-19-16(20)8-9-17(2,3)10-11-18/h5-7,12H,4,8-11,13,18H2,1-3H3,(H,19,20)
InChIKeyZCMZAYZBFSENIG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.86
Rot. Bonds9

About 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide

6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide (PubChem CID 65290667) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
PubChem CID65290667
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
SMILESCCOc1cccc(CNC(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C17H28N2O2/c1-4-21-15-7-5-6-14(12-15)13-19-16(20)8-9-17(2,3)10-11-18/h5-7,12H,4,8-11,13,18H2,1-3H3,(H,19,20)
InChIKeyZCMZAYZBFSENIG-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide
CID 65290383
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide (CID 65290667) is 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide is CCOc1cccc(CNC(=O)CCC(C)(C)CCN)c1.
What is the InChIKey of 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide?
The InChIKey is ZCMZAYZBFSENIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-21-15-7-5-6-14(12-15)13-19-16(20)8-9-17(2,3)10-11-18/h5-7,12H,4,8-11,13,18H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide?
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 65290667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).