ethyl-(2-propan-2-yloxyphenyl)carbamic acid

C12H17NO3 — CID 57185215

IUPACethyl-(2-propan-2-yloxyphenyl)carbamic acid
SMILESCCN(C(=O)O)c1ccccc1OC(C)C
InChIInChI=1S/C12H17NO3/c1-4-13(12(14)15)10-7-5-6-8-11(10)16-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyOBJHACZCVLQNJF-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.98
Rot. Bonds4

About ethyl-(2-propan-2-yloxyphenyl)carbamic acid

ethyl-(2-propan-2-yloxyphenyl)carbamic acid (PubChem CID 57185215) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl-(2-propan-2-yloxyphenyl)carbamic acid.

Molecular Properties

Compound Nameethyl-(2-propan-2-yloxyphenyl)carbamic acid
PubChem CID57185215
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl-(2-propan-2-yloxyphenyl)carbamic acid
SMILESCCN(C(=O)O)c1ccccc1OC(C)C
InChIInChI=1S/C12H17NO3/c1-4-13(12(14)15)10-7-5-6-8-11(10)16-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyOBJHACZCVLQNJF-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-propan-2-yloxyanilino)-N,N-dimethylacetamide
CID 3026215
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174277
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
N-ethyl-N-(2-methoxyphenyl)carbamate
CID 57360584
methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
CID 117029474
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
CID 17355153
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129788
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-propan-2-yloxyphenyl)carbamic acid?
The IUPAC name of ethyl-(2-propan-2-yloxyphenyl)carbamic acid (CID 57185215) is ethyl-(2-propan-2-yloxyphenyl)carbamic acid.
What is the SMILES notation for ethyl-(2-propan-2-yloxyphenyl)carbamic acid?
The canonical SMILES for ethyl-(2-propan-2-yloxyphenyl)carbamic acid is CCN(C(=O)O)c1ccccc1OC(C)C.
What is the InChIKey of ethyl-(2-propan-2-yloxyphenyl)carbamic acid?
The InChIKey is OBJHACZCVLQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-13(12(14)15)10-7-5-6-8-11(10)16-9(2)3/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of ethyl-(2-propan-2-yloxyphenyl)carbamic acid?
ethyl-(2-propan-2-yloxyphenyl)carbamic acid has a molecular weight of 223.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-propan-2-yloxyphenyl)carbamic acid is sourced from PubChem (CID 57185215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).