3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide

C19H23N3O3 — CID 119712036

IUPAC3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
SMILESCOCCNCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C
InChIInChI=1S/C19H23N3O3/c1-14-8-9-15(19(24)21-16-6-4-3-5-7-16)12-17(14)22-18(23)13-20-10-11-25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVHILZIMXKTUFGO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.42
Rot. Bonds8

About 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide

3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide (PubChem CID 119712036) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
PubChem CID119712036
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
SMILESCOCCNCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C
InChIInChI=1S/C19H23N3O3/c1-14-8-9-15(19(24)21-16-6-4-3-5-7-16)12-17(14)22-18(23)13-20-10-11-25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVHILZIMXKTUFGO-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.42
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

3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
CID 119711741
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 52703646
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
CID 167818948
methyl 4-fluoro-3-[[2-(2-methoxyethylamino)acetyl]amino]benzoate
CID 79281167

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide (CID 119712036) is 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide is COCCNCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C.
What is the InChIKey of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide?
The InChIKey is VHILZIMXKTUFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-8-9-15(19(24)21-16-6-4-3-5-7-16)12-17(14)22-18(23)13-20-10-11-25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide?
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 119712036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).