6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide

C17H28N2O — CID 65290678

IUPAC6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C17H28N2O/c1-14(15-8-6-5-7-9-15)19(4)16(20)10-11-17(2,3)12-13-18/h5-9,14H,10-13,18H2,1-4H3
InChIKeyYTGIZQNRVXVWAH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.36
Rot. Bonds7

About 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide

6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide (PubChem CID 65290678) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
PubChem CID65290678
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCC(C)(C)CCN
InChIInChI=1S/C17H28N2O/c1-14(15-8-6-5-7-9-15)19(4)16(20)10-11-17(2,3)12-13-18/h5-9,14H,10-13,18H2,1-4H3
InChIKeyYTGIZQNRVXVWAH-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
CID 65292237
1-phenylethyl 6-amino-4,4-dimethylhexanoate
CID 65285278
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
CID 51075625
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
methyl(1-phenylethyl)carbamic acid
CID 67062794
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844
2-methyl-4-[methyl(1-phenylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43579990
3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466353
4-[(6-amino-4,4-dimethylhexanoyl)-methylamino]benzoic acid
CID 104698742

Frequently Asked Questions

What is the IUPAC name of 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide?
The IUPAC name of 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide (CID 65290678) is 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide.
What is the SMILES notation for 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide?
The canonical SMILES for 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide is CC(c1ccccc1)N(C)C(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide?
The InChIKey is YTGIZQNRVXVWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(15-8-6-5-7-9-15)19(4)16(20)10-11-17(2,3)12-13-18/h5-9,14H,10-13,18H2,1-4H3.
What are the key properties of 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide?
6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide is sourced from PubChem (CID 65290678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).