[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate

C20H26N2O3 — CID 25049961

IUPAC[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(C(CCc2ccc(OC)cc2)NC)cc1
InChIInChI=1S/C20H26N2O3/c1-4-22-20(23)25-18-12-8-16(9-13-18)19(21-2)14-7-15-5-10-17(24-3)11-6-15/h5-6,8-13,19,21H,4,7,14H2,1-3H3,(H,22,23)
InChIKeyYQTZJKFYPWBCQI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.70
Rot. Bonds8

About [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate

[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate (PubChem CID 25049961) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate
PubChem CID25049961
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(C(CCc2ccc(OC)cc2)NC)cc1
InChIInChI=1S/C20H26N2O3/c1-4-22-20(23)25-18-12-8-16(9-13-18)19(21-2)14-7-15-5-10-17(24-3)11-6-15/h5-6,8-13,19,21H,4,7,14H2,1-3H3,(H,22,23)
InChIKeyYQTZJKFYPWBCQI-UHFFFAOYSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
[4-(2-aminoethyl)phenyl] N-ethylcarbamate
CID 79337248
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480428
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
tert-butyl N-[1-[3-(ethylcarbamoyloxy)phenyl]-3-(4-methoxyphenyl)propyl]-N-methylcarbamate
CID 68820344
1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 103215411
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 82732475
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
CID 130408458
(2S)-4-(4-methoxyphenyl)-2-(methylcarbamoylamino)butanoic acid
CID 139604971

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate?
The IUPAC name of [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate (CID 25049961) is [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate?
The canonical SMILES for [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(C(CCc2ccc(OC)cc2)NC)cc1.
What is the InChIKey of [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate?
The InChIKey is YQTZJKFYPWBCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-22-20(23)25-18-12-8-16(9-13-18)19(21-2)14-7-15-5-10-17(24-3)11-6-15/h5-6,8-13,19,21H,4,7,14H2,1-3H3,(H,22,23).
What are the key properties of [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate?
[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate has a molecular weight of 342.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate is sourced from PubChem (CID 25049961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).