3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide

C14H21N3O3 — CID 54829165

IUPAC3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNCCCOC)c1
InChIInChI=1S/C14H21N3O3/c1-15-14(19)11-5-3-6-12(9-11)17-13(18)10-16-7-4-8-20-2/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNLFYIFKMLUFNNJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.61
Rot. Bonds8

About 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide

3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide (PubChem CID 54829165) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide
PubChem CID54829165
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CNCCCOC)c1
InChIInChI=1S/C14H21N3O3/c1-15-14(19)11-5-3-6-12(9-11)17-13(18)10-16-7-4-8-20-2/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNLFYIFKMLUFNNJ-UHFFFAOYSA-N
XLogP0.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.61
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

2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
CID 54829274
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451
3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54837826
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide (CID 54829165) is 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CNCCCOC)c1.
What is the InChIKey of 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide?
The InChIKey is NLFYIFKMLUFNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-15-14(19)11-5-3-6-12(9-11)17-13(18)10-16-7-4-8-20-2/h3,5-6,9,16H,4,7-8,10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide?
3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54829165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).