phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate

C24H32N2O4 — CID 102318143

IUPACphenyl N-[10-(phenoxycarbonylamino)decyl]carbamate
SMILESO=C(NCCCCCCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H32N2O4/c27-23(29-21-15-9-7-10-16-21)25-19-13-5-3-1-2-4-6-14-20-26-24(28)30-22-17-11-8-12-18-22/h7-12,15-18H,1-6,13-14,19-20H2,(H,25,27)(H,26,28)
InChIKeyQMYJABKOHISTAU-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.68
Rot. Bonds13

About phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate

phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate (PubChem CID 102318143) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate.

Molecular Properties

Compound Namephenyl N-[10-(phenoxycarbonylamino)decyl]carbamate
PubChem CID102318143
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Namephenyl N-[10-(phenoxycarbonylamino)decyl]carbamate
SMILESO=C(NCCCCCCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H32N2O4/c27-23(29-21-15-9-7-10-16-21)25-19-13-5-3-1-2-4-6-14-20-26-24(28)30-22-17-11-8-12-18-22/h7-12,15-18H,1-6,13-14,19-20H2,(H,25,27)(H,26,28)
InChIKeyQMYJABKOHISTAU-UHFFFAOYSA-N
XLogP5.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.68
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-[10-(phenoxycarbonylamino)decyl]carbamate?
The IUPAC name of phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate (CID 102318143) is phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate.
What is the SMILES notation for phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate?
The canonical SMILES for phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate is O=C(NCCCCCCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate?
The InChIKey is QMYJABKOHISTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c27-23(29-21-15-9-7-10-16-21)25-19-13-5-3-1-2-4-6-14-20-26-24(28)30-22-17-11-8-12-18-22/h7-12,15-18H,1-6,13-14,19-20H2,(H,25,27)(H,26,28).
What are the key properties of phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate?
phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate has a molecular weight of 412.53 g/mol, XLogP of 5.68, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[10-(phenoxycarbonylamino)decyl]carbamate is sourced from PubChem (CID 102318143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).