phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate

C19H22N2O4 — CID 102318138

IUPACphenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate
SMILESO=C(NCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-18(24-16-10-4-1-5-11-16)20-14-8-3-9-15-21-19(23)25-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,20,22)(H,21,23)
InChIKeyINDNAOPCXGEHEN-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.73
Rot. Bonds8

About phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate

phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate (PubChem CID 102318138) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate
PubChem CID102318138
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Namephenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate
SMILESO=C(NCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-18(24-16-10-4-1-5-11-16)20-14-8-3-9-15-21-19(23)25-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,20,22)(H,21,23)
InChIKeyINDNAOPCXGEHEN-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate?
The IUPAC name of phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate (CID 102318138) is phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate.
What is the SMILES notation for phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate?
The canonical SMILES for phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate is O=C(NCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate?
The InChIKey is INDNAOPCXGEHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(24-16-10-4-1-5-11-16)20-14-8-3-9-15-21-19(23)25-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,20,22)(H,21,23).
What are the key properties of phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate?
phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate has a molecular weight of 342.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(phenoxycarbonylamino)pentyl]carbamate is sourced from PubChem (CID 102318138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).