N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide

C16H26N2O3 — CID 61485485

IUPACN-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
SMILESCCCCNC(=O)COc1cc(OC)ccc1CNCC
InChIInChI=1S/C16H26N2O3/c1-4-6-9-18-16(19)12-21-15-10-14(20-3)8-7-13(15)11-17-5-2/h7-8,10,17H,4-6,9,11-12H2,1-3H3,(H,18,19)
InChIKeySNPFWCREDKKMRF-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.10
Rot. Bonds10

About N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide

N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide (PubChem CID 61485485) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
PubChem CID61485485
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
SMILESCCCCNC(=O)COc1cc(OC)ccc1CNCC
InChIInChI=1S/C16H26N2O3/c1-4-6-9-18-16(19)12-21-15-10-14(20-3)8-7-13(15)11-17-5-2/h7-8,10,17H,4-6,9,11-12H2,1-3H3,(H,18,19)
InChIKeySNPFWCREDKKMRF-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486430
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide?
The IUPAC name of N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide (CID 61485485) is N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide is CCCCNC(=O)COc1cc(OC)ccc1CNCC.
What is the InChIKey of N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide?
The InChIKey is SNPFWCREDKKMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-6-9-18-16(19)12-21-15-10-14(20-3)8-7-13(15)11-17-5-2/h7-8,10,17H,4-6,9,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide?
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide has a molecular weight of 294.39 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide is sourced from PubChem (CID 61485485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).