2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride

C16H26ClN3O3 — CID 119684657

IUPAC2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccccc1C(=O)NCC(C)C.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-12(2)10-18-16(21)13-6-4-5-7-14(13)19-15(20)11-17-8-9-22-3;/h4-7,12,17H,8-11H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyDFOVAGXWGAURTA-UHFFFAOYSA-N
MW343.86 g/mol
LogP1.67
Rot. Bonds9

About 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride

2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride (PubChem CID 119684657) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
PubChem CID119684657
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC Name2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccccc1C(=O)NCC(C)C.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-12(2)10-18-16(21)13-6-4-5-7-14(13)19-15(20)11-17-8-9-22-3;/h4-7,12,17H,8-11H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyDFOVAGXWGAURTA-UHFFFAOYSA-N
XLogP1.67
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119679544
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119676959
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride (CID 119684657) is 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride is COCCNCC(=O)Nc1ccccc1C(=O)NCC(C)C.Cl.
What is the InChIKey of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride?
The InChIKey is DFOVAGXWGAURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-12(2)10-18-16(21)13-6-4-5-7-14(13)19-15(20)11-17-8-9-22-3;/h4-7,12,17H,8-11H2,1-3H3,(H,18,21)(H,19,20);1H.
What are the key properties of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride?
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119684657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).