2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide

C16H26N2O2 — CID 119804958

IUPAC2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCC(C)Oc1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-9-16(4,17)15(19)18-11-13(3)20-14-8-6-7-12(2)10-14/h6-8,10,13H,5,9,11,17H2,1-4H3,(H,18,19)
InChIKeyYIQCXWNUJOHVTA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.40
Rot. Bonds7

About 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide

2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide (PubChem CID 119804958) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
PubChem CID119804958
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCC(C)Oc1cccc(C)c1
InChIInChI=1S/C16H26N2O2/c1-5-9-16(4,17)15(19)18-11-13(3)20-14-8-6-7-12(2)10-14/h6-8,10,13H,5,9,11,17H2,1-4H3,(H,18,19)
InChIKeyYIQCXWNUJOHVTA-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
CID 119804565
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
3-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111685705
4-(aminomethyl)-N-[2-(3-methylphenoxy)propyl]benzamide;hydrochloride
CID 119335746
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
CID 119807122
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide (CID 119804958) is 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide is CCCC(C)(N)C(=O)NCC(C)Oc1cccc(C)c1.
What is the InChIKey of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide?
The InChIKey is YIQCXWNUJOHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-9-16(4,17)15(19)18-11-13(3)20-14-8-6-7-12(2)10-14/h6-8,10,13H,5,9,11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide?
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide is sourced from PubChem (CID 119804958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).