3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate

C17H28N2O2 — CID 122189544

IUPAC3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate
SMILESCC(CCOC(=O)N(C)C)N(C)CCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-15(12-14-21-17(20)18(2)3)19(4)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3
InChIKeyPMVGRJWGUNJKAW-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.03
Rot. Bonds8

About 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate

3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate (PubChem CID 122189544) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate
PubChem CID122189544
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate
SMILESCC(CCOC(=O)N(C)C)N(C)CCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-15(12-14-21-17(20)18(2)3)19(4)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3
InChIKeyPMVGRJWGUNJKAW-UHFFFAOYSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Encyprate
CID 17298
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 9839774
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) N-[(2S)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate
CID 10781420
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
Ethyl 4-(2-phenylethyl)-1-piperazinecarboxylate
CID 783195
Fenpipalone
CID 30822
3-(Dimethylamino)butyl benzyl(methyl)carbamate
CID 44570008
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate
CID 122189551
3-(Dimethylamino)-3-phenylpropyl dimethylcarbamate
CID 44570103
[3-(dimethylamino)-6-phenylhexyl] N,N-dimethylcarbamate
CID 122189549
[3-(dimethylamino)-7-phenylheptyl] N,N-dimethylcarbamate
CID 122189550

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate?
The IUPAC name of 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate (CID 122189544) is 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate.
What is the SMILES notation for 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate?
The canonical SMILES for 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate is CC(CCOC(=O)N(C)C)N(C)CCCc1ccccc1.
What is the InChIKey of 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate?
The InChIKey is PMVGRJWGUNJKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15(12-14-21-17(20)18(2)3)19(4)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3.
What are the key properties of 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate?
3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate has a molecular weight of 292.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate is sourced from PubChem (CID 122189544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).