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

C14H21NO3 — CID 110445074

IUPACethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccccc1OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-5-17-13(16)15-10-11-8-6-7-9-12(11)18-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyZYJAHTKSQQSMPF-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.11
Rot. Bonds4

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

ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate (PubChem CID 110445074) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
PubChem CID110445074
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccccc1OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-5-17-13(16)15-10-11-8-6-7-9-12(11)18-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyZYJAHTKSQQSMPF-UHFFFAOYSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide
CID 110441563
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
1-(2-hydroxy-2,3-dimethylbutyl)-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111508975
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
CID 110441771
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate
CID 110477722
ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate
CID 110453095

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate (CID 110445074) is ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate is CCOC(=O)NCc1ccccc1OC(C)(C)C.
What is the InChIKey of ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate?
The InChIKey is ZYJAHTKSQQSMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-17-13(16)15-10-11-8-6-7-9-12(11)18-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate?
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate is sourced from PubChem (CID 110445074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).