4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide

C14H21N3O3 — CID 79473931

IUPAC4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)COCCN)c(C)c1
InChIInChI=1S/C14H21N3O3/c1-3-16-14(19)11-4-5-12(10(2)8-11)17-13(18)9-20-7-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHDHOEOWVLDKASY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.66
Rot. Bonds7

About 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide

4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide (PubChem CID 79473931) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide
PubChem CID79473931
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)COCCN)c(C)c1
InChIInChI=1S/C14H21N3O3/c1-3-16-14(19)11-4-5-12(10(2)8-11)17-13(18)9-20-7-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHDHOEOWVLDKASY-UHFFFAOYSA-N
XLogP0.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.66
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

4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 79463499
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-ethyl-3-methylbenzamide
CID 61179048
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
CID 107940419
methyl 4-(3-aminopropanoylamino)-3-methylbenzoate
CID 43712706

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide (CID 79473931) is 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NC(=O)COCCN)c(C)c1.
What is the InChIKey of 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide?
The InChIKey is HDHOEOWVLDKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16-14(19)11-4-5-12(10(2)8-11)17-13(18)9-20-7-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide?
4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 79473931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).