2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide

C17H28N2O2 — CID 43279519

IUPAC2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccccc1C(C)NC
InChIInChI=1S/C17H28N2O2/c1-7-17(4,5)19-16(20)13(3)21-15-11-9-8-10-14(15)12(2)18-6/h8-13,18H,7H2,1-6H3,(H,19,20)
InChIKeyFZCLGQALAFXSAQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds7

About 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide

2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43279519) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID43279519
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccccc1C(C)NC
InChIInChI=1S/C17H28N2O2/c1-7-17(4,5)19-16(20)13(3)21-15-11-9-8-10-14(15)12(2)18-6/h8-13,18H,7H2,1-6H3,(H,19,20)
InChIKeyFZCLGQALAFXSAQ-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 114322624
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 114321631
2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 80741308
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
3-bromo-4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 63052137
N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide (CID 43279519) is 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccccc1C(C)NC.
What is the InChIKey of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is FZCLGQALAFXSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-17(4,5)19-16(20)13(3)21-15-11-9-8-10-14(15)12(2)18-6/h8-13,18H,7H2,1-6H3,(H,19,20).
What are the key properties of 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43279519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).