tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate

C24H33NO4 — CID 10524978

IUPACtert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H33NO4/c1-24(2,3)29-23(26)25(28-20-22-15-9-5-10-16-22)17-11-6-12-18-27-19-21-13-7-4-8-14-21/h4-5,7-10,13-16H,6,11-12,17-20H2,1-3H3
InChIKeyKMSVSDZFSBRRAX-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.74
Rot. Bonds11

About tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate

tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate (PubChem CID 10524978) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate
PubChem CID10524978
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Nametert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H33NO4/c1-24(2,3)29-23(26)25(28-20-22-15-9-5-10-16-22)17-11-6-12-18-27-19-21-13-7-4-8-14-21/h4-5,7-10,13-16H,6,11-12,17-20H2,1-3H3
InChIKeyKMSVSDZFSBRRAX-UHFFFAOYSA-N
XLogP5.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate?
The IUPAC name of tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate (CID 10524978) is tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate.
What is the SMILES notation for tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate?
The canonical SMILES for tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate is CC(C)(C)OC(=O)N(CCCCCOCc1ccccc1)OCc1ccccc1.
What is the InChIKey of tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate?
The InChIKey is KMSVSDZFSBRRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-24(2,3)29-23(26)25(28-20-22-15-9-5-10-16-22)17-11-6-12-18-27-19-21-13-7-4-8-14-21/h4-5,7-10,13-16H,6,11-12,17-20H2,1-3H3.
What are the key properties of tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate?
tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate has a molecular weight of 399.53 g/mol, XLogP of 5.74, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenylmethoxy-N-(5-phenylmethoxypentyl)carbamate is sourced from PubChem (CID 10524978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).