ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate

C14H21NO3 — CID 110780864

IUPACethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1cc(C)c(OCC)cc1C
InChIInChI=1S/C14H21NO3/c1-5-17-13-8-10(3)12(7-11(13)4)9-15-14(16)18-6-2/h7-8H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyKKFNKGSXXFYQRB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.95
Rot. Bonds5

About ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate

ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate (PubChem CID 110780864) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
PubChem CID110780864
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1cc(C)c(OCC)cc1C
InChIInChI=1S/C14H21NO3/c1-5-17-13-8-10(3)12(7-11(13)4)9-15-14(16)18-6-2/h7-8H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyKKFNKGSXXFYQRB-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774931
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
CID 115141968
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82351673
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
ethyl 2-oxo-2-[(2,4,5-trimethylphenyl)methylamino]acetate
CID 115141983
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
(4-ethoxy-2,5-dimethylphenyl)urea
CID 82492490
ethyl N-[(2,4,5-trifluorophenyl)methyl]carbamate;hydroiodide
CID 175284509

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate (CID 110780864) is ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate is CCOC(=O)NCc1cc(C)c(OCC)cc1C.
What is the InChIKey of ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate?
The InChIKey is KKFNKGSXXFYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-17-13-8-10(3)12(7-11(13)4)9-15-14(16)18-6-2/h7-8H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate?
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate is sourced from PubChem (CID 110780864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).