6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide

C16H26N2O2 — CID 107734856

IUPAC6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
SMILESCCN(C(=O)C(C)CCCC(C)N)c1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-4-18(14-9-6-10-15(19)11-14)16(20)12(2)7-5-8-13(3)17/h6,9-13,19H,4-5,7-8,17H2,1-3H3
InChIKeyJRBJBICUCLLPPP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.90
Rot. Bonds7

About 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide

6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide (PubChem CID 107734856) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
PubChem CID107734856
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
SMILESCCN(C(=O)C(C)CCCC(C)N)c1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-4-18(14-9-6-10-15(19)11-14)16(20)12(2)7-5-8-13(3)17/h6,9-13,19H,4-5,7-8,17H2,1-3H3
InChIKeyJRBJBICUCLLPPP-UHFFFAOYSA-N
XLogP2.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006
(2S)-2-amino-N-ethyl-N-(3-hydroxyphenyl)-4-methylsulfanylbutanamide
CID 107734972
2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
CID 107734150
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide
CID 107734862
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
CID 107734933
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide (CID 107734856) is 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide is CCN(C(=O)C(C)CCCC(C)N)c1cccc(O)c1.
What is the InChIKey of 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide?
The InChIKey is JRBJBICUCLLPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18(14-9-6-10-15(19)11-14)16(20)12(2)7-5-8-13(3)17/h6,9-13,19H,4-5,7-8,17H2,1-3H3.
What are the key properties of 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide?
6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide has a molecular weight of 278.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide is sourced from PubChem (CID 107734856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).