N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide

C19H23ClN2O4 — CID 78793054

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(C)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23ClN2O4/c1-12(13-5-7-14(20)8-6-13)22-18(23)11-21-15-9-16(24-2)19(26-4)17(10-15)25-3/h5-10,12,21H,11H2,1-4H3,(H,22,23)
InChIKeyRECLKXJFDYMOTN-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.66
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide

N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 78793054) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID78793054
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)NC(C)c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23ClN2O4/c1-12(13-5-7-14(20)8-6-13)22-18(23)11-21-15-9-16(24-2)19(26-4)17(10-15)25-3/h5-10,12,21H,11H2,1-4H3,(H,22,23)
InChIKeyRECLKXJFDYMOTN-UHFFFAOYSA-N
XLogP3.66
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16598693
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9106880
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 26001629
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719229
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719228

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide (CID 78793054) is N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide is COc1cc(NCC(=O)NC(C)c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is RECLKXJFDYMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-12(13-5-7-14(20)8-6-13)22-18(23)11-21-15-9-16(24-2)19(26-4)17(10-15)25-3/h5-10,12,21H,11H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 378.86 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 78793054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).