6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide

C16H26N2O2 — CID 65290383

IUPAC6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide
SMILESCCOc1cccc(NC(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C16H26N2O2/c1-4-20-14-7-5-6-13(12-14)18-15(19)8-9-16(2,3)10-11-17/h5-7,12H,4,8-11,17H2,1-3H3,(H,18,19)
InChIKeyQEHXYSNJQVNOJW-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.18
Rot. Bonds8

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

6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide (PubChem CID 65290383) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide
PubChem CID65290383
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide
SMILESCCOc1cccc(NC(=O)CCC(C)(C)CCN)c1
InChIInChI=1S/C16H26N2O2/c1-4-20-14-7-5-6-13(12-14)18-15(19)8-9-16(2,3)10-11-17/h5-7,12H,4,8-11,17H2,1-3H3,(H,18,19)
InChIKeyQEHXYSNJQVNOJW-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
CID 65349861
ethyl 7-(3-ethoxyanilino)-7-oxoheptanoate
CID 139378123
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide (CID 65290383) is 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide is CCOc1cccc(NC(=O)CCC(C)(C)CCN)c1.
What is the InChIKey of 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide?
The InChIKey is QEHXYSNJQVNOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-14-7-5-6-13(12-14)18-15(19)8-9-16(2,3)10-11-17/h5-7,12H,4,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide?
6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide has a molecular weight of 278.40 g/mol, XLogP of 3.18, 8 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)-4,4-dimethylhexanamide is sourced from PubChem (CID 65290383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).