2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide

C17H28N2O2 — CID 60852777

IUPAC2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-6-7-8-13(18)16(20)19-14-11-12(17(2,3)4)9-10-15(14)21-5/h9-11,13H,6-8,18H2,1-5H3,(H,19,20)
InChIKeyNPONAYCUJSXDSW-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.45
Rot. Bonds6

About 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide

2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide (PubChem CID 60852777) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
PubChem CID60852777
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-6-7-8-13(18)16(20)19-14-11-12(17(2,3)4)9-10-15(14)21-5/h9-11,13H,6-8,18H2,1-5H3,(H,19,20)
InChIKeyNPONAYCUJSXDSW-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzoic acid
CID 107145552
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
CID 103831255
2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
CID 65225620
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
CID 4836017
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide?
The IUPAC name of 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide (CID 60852777) is 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide is CCCCC(N)C(=O)Nc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide?
The InChIKey is NPONAYCUJSXDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-7-8-13(18)16(20)19-14-11-12(17(2,3)4)9-10-15(14)21-5/h9-11,13H,6-8,18H2,1-5H3,(H,19,20).
What are the key properties of 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide?
2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide has a molecular weight of 292.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide is sourced from PubChem (CID 60852777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).