2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide

C16H26N2O3 — CID 119338953

IUPAC2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
SMILESCCOCCOCc1cccc(NC(=O)C(C)(C)N)c1C
InChIInChI=1S/C16H26N2O3/c1-5-20-9-10-21-11-13-7-6-8-14(12(13)2)18-15(19)16(3,4)17/h6-8H,5,9-11,17H2,1-4H3,(H,18,19)
InChIKeyUNRSCMIZDPTNNF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.22
Rot. Bonds8

About 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide

2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide (PubChem CID 119338953) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
PubChem CID119338953
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
SMILESCCOCCOCc1cccc(NC(=O)C(C)(C)N)c1C
InChIInChI=1S/C16H26N2O3/c1-5-20-9-10-21-11-13-7-6-8-14(12(13)2)18-15(19)16(3,4)17/h6-8H,5,9-11,17H2,1-4H3,(H,18,19)
InChIKeyUNRSCMIZDPTNNF-UHFFFAOYSA-N
XLogP2.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.22
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-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
CID 119338952
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120669002
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
CID 71971050
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
2-amino-2-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119870046

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide (CID 119338953) is 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide is CCOCCOCc1cccc(NC(=O)C(C)(C)N)c1C.
What is the InChIKey of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide?
The InChIKey is UNRSCMIZDPTNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-20-9-10-21-11-13-7-6-8-14(12(13)2)18-15(19)16(3,4)17/h6-8H,5,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide?
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 119338953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).