methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate

C13H19NO5 — CID 58941158

IUPACmethyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCCC(OC)OC)cc1
InChIInChI=1S/C13H19NO5/c1-16-12(17-2)8-9-19-11-6-4-10(5-7-11)14-13(15)18-3/h4-7,12H,8-9H2,1-3H3,(H,14,15)
InChIKeyXPFKVNGNMOYDGW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.25
Rot. Bonds7

About methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate

methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate (PubChem CID 58941158) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate
PubChem CID58941158
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCCC(OC)OC)cc1
InChIInChI=1S/C13H19NO5/c1-16-12(17-2)8-9-19-11-6-4-10(5-7-11)14-13(15)18-3/h4-7,12H,8-9H2,1-3H3,(H,14,15)
InChIKeyXPFKVNGNMOYDGW-UHFFFAOYSA-N
XLogP2.25
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
methyl N-[4-(7,7-dichloroheptoxy)phenyl]carbamate
CID 67275580
methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
CID 110459527
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
methyl N-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]carbamate
CID 52688698
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]carbamate
CID 47059935
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate?
The IUPAC name of methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate (CID 58941158) is methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate is COC(=O)Nc1ccc(OCCC(OC)OC)cc1.
What is the InChIKey of methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate?
The InChIKey is XPFKVNGNMOYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-16-12(17-2)8-9-19-11-6-4-10(5-7-11)14-13(15)18-3/h4-7,12H,8-9H2,1-3H3,(H,14,15).
What are the key properties of methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate?
methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate has a molecular weight of 269.30 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate is sourced from PubChem (CID 58941158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).