N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline

C26H32ClN3O2 — CID 159919697

IUPACN-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline
SMILESCCN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC.CN(C)c1cccc(Cl)c1
InChIInChI=1S/C18H22N2O2.C8H10ClN/c1-4-20(13-15-8-6-5-7-9-15)17-12-16(19-14(2)21)10-11-18(17)22-3;1-10(2)8-5-3-4-7(9)6-8/h5-12H,4,13H2,1-3H3,(H,19,21);3-6H,1-2H3
InChIKeyNYFUUNPFTQHJIU-UHFFFAOYSA-N
MW454.01 g/mol
LogP6.09
Rot. Bonds7

About N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline

N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline (PubChem CID 159919697) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline
PubChem CID159919697
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC NameN-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline
SMILESCCN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC.CN(C)c1cccc(Cl)c1
InChIInChI=1S/C18H22N2O2.C8H10ClN/c1-4-20(13-15-8-6-5-7-9-15)17-12-16(19-14(2)21)10-11-18(17)22-3;1-10(2)8-5-3-4-7(9)6-8/h5-12H,4,13H2,1-3H3,(H,19,21);3-6H,1-2H3
InChIKeyNYFUUNPFTQHJIU-UHFFFAOYSA-N
XLogP6.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.01
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[benzyl(butyl)amino]-4-methoxyphenyl]acetamide
CID 21396739
N-[3-[benzyl(prop-1-enyl)amino]-4-methoxyphenyl]acetamide
CID 141427351
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109234876
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)acetamide
CID 110778435
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109258488
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline?
The IUPAC name of N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline (CID 159919697) is N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline is CCN(Cc1ccccc1)c1cc(NC(C)=O)ccc1OC.CN(C)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline?
The InChIKey is NYFUUNPFTQHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.C8H10ClN/c1-4-20(13-15-8-6-5-7-9-15)17-12-16(19-14(2)21)10-11-18(17)22-3;1-10(2)8-5-3-4-7(9)6-8/h5-12H,4,13H2,1-3H3,(H,19,21);3-6H,1-2H3.
What are the key properties of N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline?
N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline has a molecular weight of 454.01 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]-4-methoxyphenyl]acetamide;3-chloro-N,N-dimethylaniline is sourced from PubChem (CID 159919697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).