2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate

C14H20N2O4 — CID 2829175

IUPAC2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCNC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-10(2)20-13(17)15-8-9-19-14(18)16-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyCLDPRBQOJOXLQJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.68
Rot. Bonds5

About 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate

2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate (PubChem CID 2829175) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate
PubChem CID2829175
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCNC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-10(2)20-13(17)15-8-9-19-14(18)16-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyCLDPRBQOJOXLQJ-UHFFFAOYSA-N
XLogP2.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.68
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 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate?
The IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate (CID 2829175) is 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCCNC(=O)OC(C)C)cc1.
What is the InChIKey of 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate?
The InChIKey is CLDPRBQOJOXLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)20-13(17)15-8-9-19-14(18)16-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate?
2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxycarbonylamino)ethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 2829175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).