N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide

C14H22N2O3 — CID 103017298

IUPACN-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-3)10-13(17)16-11-5-4-6-12(9-11)19-8-7-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyOHQQSLYFAGTBPU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds7

About N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide

N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide (PubChem CID 103017298) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
PubChem CID103017298
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,18-3)10-13(17)16-11-5-4-6-12(9-11)19-8-7-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17)
InChIKeyOHQQSLYFAGTBPU-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(2-aminoethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 28754992
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119723463
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
2,2-diethyl-4-[3-(2-fluoroethoxy)anilino]-4-oxobutanoic acid
CID 119163768
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide (CID 103017298) is N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1cccc(OCCN)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide?
The InChIKey is OHQQSLYFAGTBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,18-3)10-13(17)16-11-5-4-6-12(9-11)19-8-7-15/h4-6,9H,7-8,10,15H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide?
N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103017298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).