2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide

C17H28N2O2 — CID 65225620

IUPAC2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-6-7-12(11-18)16(20)19-14-10-13(17(2,3)4)8-9-15(14)21-5/h8-10,12H,6-7,11,18H2,1-5H3,(H,19,20)
InChIKeyWIIXVVKKAGMINQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.31
Rot. Bonds6

About 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide

2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide (PubChem CID 65225620) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
PubChem CID65225620
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-6-7-12(11-18)16(20)19-14-10-13(17(2,3)4)8-9-15(14)21-5/h8-10,12H,6-7,11,18H2,1-5H3,(H,19,20)
InChIKeyWIIXVVKKAGMINQ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
CID 60852777
N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
CID 4836017
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
CID 115186809
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
5-tert-butyl-2-methoxy-N-pentan-2-ylaniline
CID 43681220
1-(5-tert-butyl-2-methoxyphenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 125179633
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 65225157

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide (CID 65225620) is 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide is CCCC(CN)C(=O)Nc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide?
The InChIKey is WIIXVVKKAGMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-7-12(11-18)16(20)19-14-10-13(17(2,3)4)8-9-15(14)21-5/h8-10,12H,6-7,11,18H2,1-5H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide?
2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide has a molecular weight of 292.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide is sourced from PubChem (CID 65225620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).