[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate

C23H31NO4 — CID 58329180

IUPAC[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(C(C)c2cc(C)c(C)c(OC)c2)ccc1OC
InChIInChI=1S/C23H31NO4/c1-8-24(9-2)23(25)28-22-13-18(10-11-20(22)26-6)17(5)19-12-15(3)16(4)21(14-19)27-7/h10-14,17H,8-9H2,1-7H3
InChIKeySPSOHVOTPOBIGW-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.31
Rot. Bonds7

About [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate

[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate (PubChem CID 58329180) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
PubChem CID58329180
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(C(C)c2cc(C)c(C)c(OC)c2)ccc1OC
InChIInChI=1S/C23H31NO4/c1-8-24(9-2)23(25)28-22-13-18(10-11-20(22)26-6)17(5)19-12-15(3)16(4)21(14-19)27-7/h10-14,17H,8-9H2,1-7H3
InChIKeySPSOHVOTPOBIGW-UHFFFAOYSA-N
XLogP5.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate
CID 89122705
[5-[1-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenyl] 2,2-dichloroacetate
CID 175220092
4-[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenoxy]aniline
CID 58329207
[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate
CID 141499862
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 123468185
6-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]quinoline
CID 58329222
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100699476
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(3-methoxy-4,5-dimethylphenyl)-N-methylbutanamide
CID 90225512
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate?
The IUPAC name of [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate (CID 58329180) is [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate?
The canonical SMILES for [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(C(C)c2cc(C)c(C)c(OC)c2)ccc1OC.
What is the InChIKey of [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate?
The InChIKey is SPSOHVOTPOBIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-8-24(9-2)23(25)28-22-13-18(10-11-20(22)26-6)17(5)19-12-15(3)16(4)21(14-19)27-7/h10-14,17H,8-9H2,1-7H3.
What are the key properties of [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate?
[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate has a molecular weight of 385.50 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 58329180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).