[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate

C18H17NO4 — CID 26699631

IUPAC[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C2CC2)cc1
InChIInChI=1S/C18H17NO4/c1-22-16-5-3-2-4-15(16)17(20)19-13-8-10-14(11-9-13)23-18(21)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,19,20)
InChIKeyPNVOOAWUGDFWOR-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.26
Rot. Bonds5

About [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate

[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate (PubChem CID 26699631) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
PubChem CID26699631
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
SMILESCOc1ccccc1C(=O)Nc1ccc(OC(=O)C2CC2)cc1
InChIInChI=1S/C18H17NO4/c1-22-16-5-3-2-4-15(16)17(20)19-13-8-10-14(11-9-13)23-18(21)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,19,20)
InChIKeyPNVOOAWUGDFWOR-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 4-O-[4-[(2-methoxybenzoyl)amino]phenyl] piperidine-1,4-dicarboxylate
CID 46635792
[4-[(2-methoxybenzoyl)amino]phenyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46662282
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
CID 11601220
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9320436
[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
CID 26190244

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate?
The IUPAC name of [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate (CID 26699631) is [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate is COc1ccccc1C(=O)Nc1ccc(OC(=O)C2CC2)cc1.
What is the InChIKey of [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate?
The InChIKey is PNVOOAWUGDFWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-16-5-3-2-4-15(16)17(20)19-13-8-10-14(11-9-13)23-18(21)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,19,20).
What are the key properties of [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate?
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 26699631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).