(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate

C25H26N2O2 — CID 54017112

IUPAC(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCCCCC=C(c1ccccc1)c1cccnc1
InChIInChI=1S/C25H26N2O2/c28-25(27-23-15-7-4-8-16-23)29-19-10-2-1-9-17-24(21-12-5-3-6-13-21)22-14-11-18-26-20-22/h3-8,11-18,20H,1-2,9-10,19H2,(H,27,28)
InChIKeyKWJOJVRSSUPLPC-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.32
Rot. Bonds9

About (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate

(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate (PubChem CID 54017112) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate.

Molecular Properties

Compound Name(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate
PubChem CID54017112
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCCCCC=C(c1ccccc1)c1cccnc1
InChIInChI=1S/C25H26N2O2/c28-25(27-23-15-7-4-8-16-23)29-19-10-2-1-9-17-24(21-12-5-3-6-13-21)22-14-11-18-26-20-22/h3-8,11-18,20H,1-2,9-10,19H2,(H,27,28)
InChIKeyKWJOJVRSSUPLPC-UHFFFAOYSA-N
XLogP6.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[(E)-7-phenyl-7-pyridin-3-ylhept-6-enyl] N-phenylcarbamothioate
CID 13423327
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
CID 13417263
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(Z)-2,2-dimethyl-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417291
methyl (E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoate
CID 86740123
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54065609
(E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417319
(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099626

Frequently Asked Questions

What is the IUPAC name of (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate?
The IUPAC name of (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate (CID 54017112) is (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate.
What is the SMILES notation for (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate?
The canonical SMILES for (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate is O=C(Nc1ccccc1)OCCCCCC=C(c1ccccc1)c1cccnc1.
What is the InChIKey of (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate?
The InChIKey is KWJOJVRSSUPLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(27-23-15-7-4-8-16-23)29-19-10-2-1-9-17-24(21-12-5-3-6-13-21)22-14-11-18-26-20-22/h3-8,11-18,20H,1-2,9-10,19H2,(H,27,28).
What are the key properties of (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate?
(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate has a molecular weight of 386.50 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate is sourced from PubChem (CID 54017112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).