[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate

C18H17NO4 — CID 67154778

IUPAC[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CC2)cc1)OCc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17(14-6-7-14)23-16-10-8-15(9-11-16)19-18(21)22-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,19,21)
InChIKeyPUOFXLLPOIIFIW-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.75
Rot. Bonds5

About [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate

[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate (PubChem CID 67154778) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
PubChem CID67154778
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CC2)cc1)OCc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17(14-6-7-14)23-16-10-8-15(9-11-16)19-18(21)22-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,19,21)
InChIKeyPUOFXLLPOIIFIW-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
CID 112502827
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
CID 174753311
2-[4-[4-(phenylmethoxycarbonylamino)phenyl]cyclohexyl]acetic acid
CID 59464034
benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate
CID 23933477

Frequently Asked Questions

What is the IUPAC name of [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate?
The IUPAC name of [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate (CID 67154778) is [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate is O=C(Nc1ccc(OC(=O)C2CC2)cc1)OCc1ccccc1.
What is the InChIKey of [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate?
The InChIKey is PUOFXLLPOIIFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17(14-6-7-14)23-16-10-8-15(9-11-16)19-18(21)22-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H,19,21).
What are the key properties of [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate?
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate has a molecular weight of 311.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 67154778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).