ethyl N-(4-propan-2-yloxyphenyl)carbamate

C12H17NO3 — CID 731078

IUPACethyl N-(4-propan-2-yloxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H17NO3/c1-4-15-12(14)13-10-5-7-11(8-6-10)16-9(2)3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyUOENGZWZWXVDIC-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.04
Rot. Bonds4

About ethyl N-(4-propan-2-yloxyphenyl)carbamate

ethyl N-(4-propan-2-yloxyphenyl)carbamate (PubChem CID 731078) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl N-(4-propan-2-yloxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-propan-2-yloxyphenyl)carbamate
PubChem CID731078
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl N-(4-propan-2-yloxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C12H17NO3/c1-4-15-12(14)13-10-5-7-11(8-6-10)16-9(2)3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyUOENGZWZWXVDIC-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
ethyl N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]carbamate
CID 113034594
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-propan-2-yloxyphenyl)carbamate?
The IUPAC name of ethyl N-(4-propan-2-yloxyphenyl)carbamate (CID 731078) is ethyl N-(4-propan-2-yloxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-propan-2-yloxyphenyl)carbamate?
The canonical SMILES for ethyl N-(4-propan-2-yloxyphenyl)carbamate is CCOC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl N-(4-propan-2-yloxyphenyl)carbamate?
The InChIKey is UOENGZWZWXVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-15-12(14)13-10-5-7-11(8-6-10)16-9(2)3/h5-9H,4H2,1-3H3,(H,13,14).
What are the key properties of ethyl N-(4-propan-2-yloxyphenyl)carbamate?
ethyl N-(4-propan-2-yloxyphenyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-propan-2-yloxyphenyl)carbamate is sourced from PubChem (CID 731078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).