2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide

C16H26N2O2 — CID 64706427

IUPAC2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide
SMILESCc1cc(OC(C)CC(C)(N)C(N)=O)ccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)14-7-6-13(8-11(14)3)20-12(4)9-16(5,18)15(17)19/h6-8,10,12H,9,18H2,1-5H3,(H2,17,19)
InChIKeyJGSLJRQPASBPGK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds6

About 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide

2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide (PubChem CID 64706427) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide
PubChem CID64706427
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide
SMILESCc1cc(OC(C)CC(C)(N)C(N)=O)ccc1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)14-7-6-13(8-11(14)3)20-12(4)9-16(5,18)15(17)19/h6-8,10,12H,9,18H2,1-5H3,(H2,17,19)
InChIKeyJGSLJRQPASBPGK-UHFFFAOYSA-N
XLogP2.48
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64719345
ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
CID 112709148
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide?
The IUPAC name of 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide (CID 64706427) is 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide?
The canonical SMILES for 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide is Cc1cc(OC(C)CC(C)(N)C(N)=O)ccc1C(C)C.
What is the InChIKey of 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide?
The InChIKey is JGSLJRQPASBPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)14-7-6-13(8-11(14)3)20-12(4)9-16(5,18)15(17)19/h6-8,10,12H,9,18H2,1-5H3,(H2,17,19).
What are the key properties of 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide?
2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pentanamide is sourced from PubChem (CID 64706427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).