methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate

C17H25NO4 — CID 110357612

IUPACmethyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCC(c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H25NO4/c1-18(17(19)22-4)10-9-14(12-5-6-12)13-7-8-15(20-2)16(11-13)21-3/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyZWORVKBFFYUOOR-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.29
Rot. Bonds7

About methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate

methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate (PubChem CID 110357612) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
PubChem CID110357612
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCC(c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H25NO4/c1-18(17(19)22-4)10-9-14(12-5-6-12)13-7-8-15(20-2)16(11-13)21-3/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyZWORVKBFFYUOOR-UHFFFAOYSA-N
XLogP3.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate?
The IUPAC name of methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate (CID 110357612) is methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate is COC(=O)N(C)CCC(c1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate?
The InChIKey is ZWORVKBFFYUOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-18(17(19)22-4)10-9-14(12-5-6-12)13-7-8-15(20-2)16(11-13)21-3/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate?
methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate has a molecular weight of 307.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate is sourced from PubChem (CID 110357612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).