6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide

C16H26N2O2 — CID 60926923

IUPAC6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)CCCCCN
InChIInChI=1S/C16H26N2O2/c1-12(2)20-14-8-9-15(13(3)11-14)18-16(19)7-5-4-6-10-17/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyXNCFPBFMFFWFJU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.24
Rot. Bonds8

About 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide

6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide (PubChem CID 60926923) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
PubChem CID60926923
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)CCCCCN
InChIInChI=1S/C16H26N2O2/c1-12(2)20-14-8-9-15(13(3)11-14)18-16(19)7-5-4-6-10-17/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyXNCFPBFMFFWFJU-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
CID 60933731
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
CID 39353469
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide
CID 55886913
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
3-methyl-5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 62966092
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide?
The IUPAC name of 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide (CID 60926923) is 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide is Cc1cc(OC(C)C)ccc1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide?
The InChIKey is XNCFPBFMFFWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)20-14-8-9-15(13(3)11-14)18-16(19)7-5-4-6-10-17/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide?
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide has a molecular weight of 278.40 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide is sourced from PubChem (CID 60926923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).