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

C16H26N2O2 — CID 43278475

IUPACN-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cccc(CNC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-13(4)18-16(19)11-20-15-8-6-7-14(9-15)10-17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyYYLLWBUVDDIRCC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds8

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

N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 43278475) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID43278475
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1cccc(CNC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-13(4)18-16(19)11-20-15-8-6-7-14(9-15)10-17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyYYLLWBUVDDIRCC-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057253
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
N-[[3-(2-chloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883728
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 64669301
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide (CID 43278475) is N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide is CCC(C)NC(=O)COc1cccc(CNC(C)C)c1.
What is the InChIKey of N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is YYLLWBUVDDIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(4)18-16(19)11-20-15-8-6-7-14(9-15)10-17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide?
N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 43278475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).