4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide

C17H28N2O2 — CID 107734933

IUPAC4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
SMILESCCN(C(=O)CCC(CCN)C(C)C)c1cccc(O)c1
InChIInChI=1S/C17H28N2O2/c1-4-19(15-6-5-7-16(20)12-15)17(21)9-8-14(10-11-18)13(2)3/h5-7,12-14,20H,4,8-11,18H2,1-3H3
InChIKeyVUUYTSCEJFBWHN-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.15
Rot. Bonds8

About 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide

4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide (PubChem CID 107734933) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
PubChem CID107734933
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
SMILESCCN(C(=O)CCC(CCN)C(C)C)c1cccc(O)c1
InChIInChI=1S/C17H28N2O2/c1-4-19(15-6-5-7-16(20)12-15)17(21)9-8-14(10-11-18)13(2)3/h5-7,12-14,20H,4,8-11,18H2,1-3H3
InChIKeyVUUYTSCEJFBWHN-UHFFFAOYSA-N
XLogP3.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
2-(2-aminoethoxy)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734931
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
CID 107734856
2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
CID 107734150
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide (CID 107734933) is 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide is CCN(C(=O)CCC(CCN)C(C)C)c1cccc(O)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide?
The InChIKey is VUUYTSCEJFBWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-19(15-6-5-7-16(20)12-15)17(21)9-8-14(10-11-18)13(2)3/h5-7,12-14,20H,4,8-11,18H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide?
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide is sourced from PubChem (CID 107734933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).