N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide

C21H25ClN2O2 — CID 46801655

IUPACN-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-13-26-18-11-9-17(10-12-18)14-24(3)15-21(25)23-16(2)19-7-5-6-8-20(19)22/h4-12,16H,1,13-15H2,2-3H3,(H,23,25)
InChIKeyMEARWQBZHYZMSE-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.21
Rot. Bonds9

About N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide

N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide (PubChem CID 46801655) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
PubChem CID46801655
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-13-26-18-11-9-17(10-12-18)14-24(3)15-21(25)23-16(2)19-7-5-6-8-20(19)22/h4-12,16H,1,13-15H2,2-3H3,(H,23,25)
InChIKeyMEARWQBZHYZMSE-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111
N-[1-(4-bromophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 46801665
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9168228
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 84869554
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 18087446
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide (CID 46801655) is N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide is C=CCOc1ccc(CN(C)CC(=O)NC(C)c2ccccc2Cl)cc1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The InChIKey is MEARWQBZHYZMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-13-26-18-11-9-17(10-12-18)14-24(3)15-21(25)23-16(2)19-7-5-6-8-20(19)22/h4-12,16H,1,13-15H2,2-3H3,(H,23,25).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide has a molecular weight of 372.90 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 46801655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).