1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate

C21H24N2O5 — CID 19908027

IUPAC1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate
SMILESCC(=O)OC(C)N(c1cccc(NC(=O)c2ccccc2)c1)C(C)OC(C)=O
InChIInChI=1S/C21H24N2O5/c1-14(27-16(3)24)23(15(2)28-17(4)25)20-12-8-11-19(13-20)22-21(26)18-9-6-5-7-10-18/h5-15H,1-4H3,(H,22,26)
InChIKeyMPHSTPLNWQHZFC-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.56
Rot. Bonds7

About 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate

1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate (PubChem CID 19908027) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate.

Molecular Properties

Compound Name1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate
PubChem CID19908027
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate
SMILESCC(=O)OC(C)N(c1cccc(NC(=O)c2ccccc2)c1)C(C)OC(C)=O
InChIInChI=1S/C21H24N2O5/c1-14(27-16(3)24)23(15(2)28-17(4)25)20-12-8-11-19(13-20)22-21(26)18-9-6-5-7-10-18/h5-15H,1-4H3,(H,22,26)
InChIKeyMPHSTPLNWQHZFC-UHFFFAOYSA-N
XLogP3.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
2-methylpropyl 3-benzamidobenzoate
CID 691358
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
2-[N-(2-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate;methyl 3-(N-methylanilino)propanoate
CID 67571780
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
N-[3-[acetyl(methyl)amino]phenyl]-4-phenylmethoxybenzamide
CID 46761920
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757

Frequently Asked Questions

What is the IUPAC name of 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate?
The IUPAC name of 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate (CID 19908027) is 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate.
What is the SMILES notation for 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate?
The canonical SMILES for 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate is CC(=O)OC(C)N(c1cccc(NC(=O)c2ccccc2)c1)C(C)OC(C)=O.
What is the InChIKey of 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate?
The InChIKey is MPHSTPLNWQHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(27-16(3)24)23(15(2)28-17(4)25)20-12-8-11-19(13-20)22-21(26)18-9-6-5-7-10-18/h5-15H,1-4H3,(H,22,26).
What are the key properties of 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate?
1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate has a molecular weight of 384.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(1-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate is sourced from PubChem (CID 19908027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).