3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide

C16H26N2O2 — CID 61108280

IUPAC3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cccc(N)c1C
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)18(10-11-20-4)16(19)14-8-7-9-15(17)12(14)3/h7-9,13H,5-6,10-11,17H2,1-4H3
InChIKeyBGPUNDHWRJYJCD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.85
Rot. Bonds7

About 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide

3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide (PubChem CID 61108280) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
PubChem CID61108280
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cccc(N)c1C
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)18(10-11-20-4)16(19)14-8-7-9-15(17)12(14)3/h7-9,13H,5-6,10-11,17H2,1-4H3
InChIKeyBGPUNDHWRJYJCD-UHFFFAOYSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 62243860
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
CID 61105794
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610
2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
6-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyridazine-3-carboxamide
CID 62243675
N-(2-methoxyethyl)-N-pentan-3-ylfuran-2-carboxamide
CID 60791660

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide (CID 61108280) is 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
The InChIKey is BGPUNDHWRJYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(6-2)18(10-11-20-4)16(19)14-8-7-9-15(17)12(14)3/h7-9,13H,5-6,10-11,17H2,1-4H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 61108280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).