methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate

C13H18N2O4 — CID 47059935

IUPACmethyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate
SMILESCCCNC(=O)COc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C13H18N2O4/c1-3-8-14-12(16)9-19-11-6-4-10(5-7-11)15-13(17)18-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRWADOEGWFABYES-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds6

About methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate

methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate (PubChem CID 47059935) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate
PubChem CID47059935
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate
SMILESCCCNC(=O)COc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C13H18N2O4/c1-3-8-14-12(16)9-19-11-6-4-10(5-7-11)15-13(17)18-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRWADOEGWFABYES-UHFFFAOYSA-N
XLogP1.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methylsulfanylacetyl)amino]phenoxy]-N-propylacetamide
CID 47077568
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate
CID 60522515
N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9401212
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
2-(4-formylphenoxy)acetic acid;2-(4-formylphenoxy)-N-propylacetamide
CID 159419255
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate (CID 47059935) is methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate is CCCNC(=O)COc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate?
The InChIKey is RWADOEGWFABYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-8-14-12(16)9-19-11-6-4-10(5-7-11)15-13(17)18-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate?
methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate is sourced from PubChem (CID 47059935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).