[3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate

C16H26N2O3 — CID 122189556

IUPAC[3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(COCc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O3/c1-17(2)15(10-11-21-16(19)18(3)4)13-20-12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeyLQCPFWLAQSKAJV-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.22
Rot. Bonds8

About [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate

[3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate (PubChem CID 122189556) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate
PubChem CID122189556
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(COCc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O3/c1-17(2)15(10-11-21-16(19)18(3)4)13-20-12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3
InChIKeyLQCPFWLAQSKAJV-UHFFFAOYSA-N
XLogP2.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate (CID 122189556) is [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate is CN(C)C(=O)OCCC(COCc1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate?
The InChIKey is LQCPFWLAQSKAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17(2)15(10-11-21-16(19)18(3)4)13-20-12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate has a molecular weight of 294.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-phenylmethoxybutyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122189556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).