phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate

C19H22N2O5 — CID 108575202

IUPACphenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
SMILESCOc1ccc(CC(=O)NCCNC(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O5/c1-24-16-9-8-14(12-17(16)25-2)13-18(22)20-10-11-21-19(23)26-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKQCFKLKAPUZOSU-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.15
Rot. Bonds8

About phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate

phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate (PubChem CID 108575202) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
PubChem CID108575202
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namephenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
SMILESCOc1ccc(CC(=O)NCCNC(=O)Oc2ccccc2)cc1OC
InChIInChI=1S/C19H22N2O5/c1-24-16-9-8-14(12-17(16)25-2)13-18(22)20-10-11-21-19(23)26-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKQCFKLKAPUZOSU-UHFFFAOYSA-N
XLogP2.15
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
CID 110357956
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
CID 102464836
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide
CID 121112218
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate (CID 108575202) is phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate is COc1ccc(CC(=O)NCCNC(=O)Oc2ccccc2)cc1OC.
What is the InChIKey of phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate?
The InChIKey is KQCFKLKAPUZOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-16-9-8-14(12-17(16)25-2)13-18(22)20-10-11-21-19(23)26-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate?
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate has a molecular weight of 358.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108575202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).