[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate

C14H15NO3 — CID 11601220

IUPAC[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CC2)cc1)C1CC1
InChIInChI=1S/C14H15NO3/c16-13(9-1-2-9)15-11-5-7-12(8-6-11)18-14(17)10-3-4-10/h5-10H,1-4H2,(H,15,16)
InChIKeyJDIDWOIYVRGJRI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.35
Rot. Bonds4

About [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate

[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate (PubChem CID 11601220) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
PubChem CID11601220
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CC2)cc1)C1CC1
InChIInChI=1S/C14H15NO3/c16-13(9-1-2-9)15-11-5-7-12(8-6-11)18-14(17)10-3-4-10/h5-10H,1-4H2,(H,15,16)
InChIKeyJDIDWOIYVRGJRI-UHFFFAOYSA-N
XLogP2.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate
CID 56805893
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
[4-(spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carbonylamino)phenyl] (1'S,5'S)-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxylate
CID 18805144
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate?
The IUPAC name of [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate (CID 11601220) is [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate is O=C(Nc1ccc(OC(=O)C2CC2)cc1)C1CC1.
What is the InChIKey of [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate?
The InChIKey is JDIDWOIYVRGJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(9-1-2-9)15-11-5-7-12(8-6-11)18-14(17)10-3-4-10/h5-10H,1-4H2,(H,15,16).
What are the key properties of [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate?
[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 11601220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).