[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate

C23H22N2O4 — CID 54035597

IUPAC[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccc(OC(C)=O)cc1
InChIInChI=1S/C23H22N2O4/c1-16(26)29-20-11-8-17(9-12-20)15-24-21-14-18(10-13-22(21)28-2)23(27)25-19-6-4-3-5-7-19/h3-14,24H,15H2,1-2H3,(H,25,27)
InChIKeyLISHPUJOEUUMTI-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.48
Rot. Bonds7

About [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate

[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate (PubChem CID 54035597) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate
PubChem CID54035597
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccc(OC(C)=O)cc1
InChIInChI=1S/C23H22N2O4/c1-16(26)29-20-11-8-17(9-12-20)15-24-21-14-18(10-13-22(21)28-2)23(27)25-19-6-4-3-5-7-19/h3-14,24H,15H2,1-2H3,(H,25,27)
InChIKeyLISHPUJOEUUMTI-UHFFFAOYSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
(4-benzamidophenyl) acetate
CID 34734144
3-[(3-acetylphenyl)carbamothioylamino]-4-methoxy-N-phenylbenzamide
CID 54111046
3-(2,2-dicyanoethenylamino)-4-methoxy-N-phenylbenzamide
CID 168541185
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 23875300
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251

Frequently Asked Questions

What is the IUPAC name of [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate?
The IUPAC name of [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate (CID 54035597) is [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate.
What is the SMILES notation for [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate?
The canonical SMILES for [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate is COc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate?
The InChIKey is LISHPUJOEUUMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(26)29-20-11-8-17(9-12-20)15-24-21-14-18(10-13-22(21)28-2)23(27)25-19-6-4-3-5-7-19/h3-14,24H,15H2,1-2H3,(H,25,27).
What are the key properties of [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate?
[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate has a molecular weight of 390.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate is sourced from PubChem (CID 54035597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).