methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate

C13H18N2O4 — CID 110459527

IUPACmethyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCCN(C)C(C)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-10(16)15(2)8-9-19-12-6-4-11(5-7-12)14-13(17)18-3/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyUCHNSDRSKBNDQZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.72
Rot. Bonds5

About methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate

methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate (PubChem CID 110459527) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
PubChem CID110459527
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCCN(C)C(C)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-10(16)15(2)8-9-19-12-6-4-11(5-7-12)14-13(17)18-3/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeyUCHNSDRSKBNDQZ-UHFFFAOYSA-N
XLogP1.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide
CID 110452130
methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate
CID 58941158
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
methyl N-[4-(7,7-dichloroheptoxy)phenyl]carbamate
CID 67275580
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate (CID 110459527) is methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCCN(C)C(C)=O)cc1.
What is the InChIKey of methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate?
The InChIKey is UCHNSDRSKBNDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(16)15(2)8-9-19-12-6-4-11(5-7-12)14-13(17)18-3/h4-7H,8-9H2,1-3H3,(H,14,17).
What are the key properties of methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate?
methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate is sourced from PubChem (CID 110459527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).