2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate

C14H22N2O3 — CID 112588469

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate
SMILESCC(C)(C)OCCOC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-9-8-18-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyVOEUODGWMPVRKC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.51
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate

2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate (PubChem CID 112588469) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate
PubChem CID112588469
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate
SMILESCC(C)(C)OCCOC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-9-8-18-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyVOEUODGWMPVRKC-UHFFFAOYSA-N
XLogP2.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.51
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-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate (CID 112588469) is 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate is CC(C)(C)OCCOC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate?
The InChIKey is VOEUODGWMPVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-9-8-18-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate?
2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate is sourced from PubChem (CID 112588469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).