phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate

C22H28N2O5 — CID 3784523

IUPACphenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
SMILESCOc1ccc(CN(CCN2CCOCC2)C(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O5/c1-26-20-9-8-18(16-21(20)27-2)17-24(11-10-23-12-14-28-15-13-23)22(25)29-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3
InChIKeyWHJAIRTVRSGMTK-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.04
Rot. Bonds8

About phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate

phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 3784523) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Namephenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
PubChem CID3784523
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Namephenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
SMILESCOc1ccc(CN(CCN2CCOCC2)C(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O5/c1-26-20-9-8-18(16-21(20)27-2)17-24(11-10-23-12-14-28-15-13-23)22(25)29-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3
InChIKeyWHJAIRTVRSGMTK-UHFFFAOYSA-N
XLogP3.04
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 42696198
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 17065621
3-(2-chloro-6-methylphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3545236
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
1-[(3,4-dimethoxyphenyl)methyl]-3-hexyl-1-(2-morpholin-4-ylethyl)thiourea
CID 5066646
3-(5-chloro-2-methoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 23097864
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate (CID 3784523) is phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate is COc1ccc(CN(CCN2CCOCC2)C(=O)Oc2ccccc2)cc1OC.
What is the InChIKey of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is WHJAIRTVRSGMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-26-20-9-8-18(16-21(20)27-2)17-24(11-10-23-12-14-28-15-13-23)22(25)29-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate?
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 400.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 3784523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).