(3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate

C23H30N2O3 — CID 24881807

IUPAC(3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate
SMILESO=C(NCCCCCCN1CCOCC1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H30N2O3/c26-23(24-13-6-1-2-7-14-25-15-17-27-18-16-25)28-22-12-8-11-21(19-22)20-9-4-3-5-10-20/h3-5,8-12,19H,1-2,6-7,13-18H2,(H,24,26)
InChIKeyGZSMISSWGJRMPV-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.33
Rot. Bonds9

About (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate

(3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate (PubChem CID 24881807) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate.

Molecular Properties

Compound Name(3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate
PubChem CID24881807
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate
SMILESO=C(NCCCCCCN1CCOCC1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H30N2O3/c26-23(24-13-6-1-2-7-14-25-15-17-27-18-16-25)28-22-12-8-11-21(19-22)20-9-4-3-5-10-20/h3-5,8-12,19H,1-2,6-7,13-18H2,(H,24,26)
InChIKeyGZSMISSWGJRMPV-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
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 (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate?
The IUPAC name of (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate (CID 24881807) is (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate.
What is the SMILES notation for (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate?
The canonical SMILES for (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate is O=C(NCCCCCCN1CCOCC1)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate?
The InChIKey is GZSMISSWGJRMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-23(24-13-6-1-2-7-14-25-15-17-27-18-16-25)28-22-12-8-11-21(19-22)20-9-4-3-5-10-20/h3-5,8-12,19H,1-2,6-7,13-18H2,(H,24,26).
What are the key properties of (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate?
(3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate has a molecular weight of 382.50 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) N-(6-morpholin-4-ylhexyl)carbamate is sourced from PubChem (CID 24881807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).