[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate

C18H22N2O4 — CID 56805893

IUPAC[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H22N2O4/c21-16(11-19-17(22)12-3-1-2-4-12)24-15-9-7-14(8-10-15)20-18(23)13-5-6-13/h7-10,12-13H,1-6,11H2,(H,19,22)(H,20,23)
InChIKeyWEVORYPINJQMFI-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.25
Rot. Bonds6

About [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate

[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate (PubChem CID 56805893) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate.

Molecular Properties

Compound Name[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate
PubChem CID56805893
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate
SMILESO=C(CNC(=O)C1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H22N2O4/c21-16(11-19-17(22)12-3-1-2-4-12)24-15-9-7-14(8-10-15)20-18(23)13-5-6-13/h7-10,12-13H,1-6,11H2,(H,19,22)(H,20,23)
InChIKeyWEVORYPINJQMFI-UHFFFAOYSA-N
XLogP2.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
CID 11601220
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
N-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]cyclohexanecarboxamide
CID 155811692
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
CID 43369242
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
[4-(cyclohexanecarbonylamino)phenyl] ethanesulfonate
CID 127045881
N-[2-oxo-2-(4-pyrimidin-2-yloxyanilino)ethyl]cyclopentanecarboxamide
CID 71940361
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate?
The IUPAC name of [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate (CID 56805893) is [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate.
What is the SMILES notation for [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate?
The canonical SMILES for [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate is O=C(CNC(=O)C1CCCC1)Oc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate?
The InChIKey is WEVORYPINJQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(11-19-17(22)12-3-1-2-4-12)24-15-9-7-14(8-10-15)20-18(23)13-5-6-13/h7-10,12-13H,1-6,11H2,(H,19,22)(H,20,23).
What are the key properties of [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate?
[4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate has a molecular weight of 330.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropanecarbonylamino)phenyl] 2-(cyclopentanecarbonylamino)acetate is sourced from PubChem (CID 56805893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).