N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide

C17H28N2O2 — CID 61489295

IUPACN-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCC(C)NCc1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)14(5)19-17(20)11-21-16-9-7-6-8-15(16)10-18-13(3)4/h6-9,12-14,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyIESFYQCTUILQDL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.72
Rot. Bonds8

About N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide

N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 61489295) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID61489295
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCC(C)NCc1ccccc1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)14(5)19-17(20)11-21-16-9-7-6-8-15(16)10-18-13(3)4/h6-9,12-14,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyIESFYQCTUILQDL-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
N-cyclopropyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277358
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide (CID 61489295) is N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide is CC(C)NCc1ccccc1OCC(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is IESFYQCTUILQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)14(5)19-17(20)11-21-16-9-7-6-8-15(16)10-18-13(3)4/h6-9,12-14,18H,10-11H2,1-5H3,(H,19,20).
What are the key properties of N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide?
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 61489295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).