N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide

C17H28N2O2 — CID 119997217

IUPACN-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(CN)CNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(10-18)11-19-16(20)13(2)21-15-8-6-14(7-9-15)17(3,4)5/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyNTHDLGKRKNYJQA-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.46
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide

N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide (PubChem CID 119997217) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
PubChem CID119997217
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(CN)CNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(10-18)11-19-16(20)13(2)21-15-8-6-14(7-9-15)17(3,4)5/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20)
InChIKeyNTHDLGKRKNYJQA-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
CID 119995526
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
(2S)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318513
(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318514
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
CID 119613985
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027
2-[2-[2-(4-tert-butylphenoxy)propanoylamino]ethylsulfanyl]acetic acid
CID 119241322
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide (CID 119997217) is N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide is CC(CN)CNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is NTHDLGKRKNYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(10-18)11-19-16(20)13(2)21-15-8-6-14(7-9-15)17(3,4)5/h6-9,12-13H,10-11,18H2,1-5H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide?
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 119997217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).