4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide

C20H24ClN3O3 — CID 9136923

IUPAC4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H24ClN3O3/c1-23(2)20(26)14-5-8-17(9-6-14)22-19(25)13-24(3)12-15-11-16(21)7-10-18(15)27-4/h5-11H,12-13H2,1-4H3,(H,22,25)
InChIKeyBIYIKNKKHZTGHA-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.12
Rot. Bonds7

About 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 9136923) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID9136923
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C20H24ClN3O3/c1-23(2)20(26)14-5-8-17(9-6-14)22-19(25)13-24(3)12-15-11-16(21)7-10-18(15)27-4/h5-11H,12-13H2,1-4H3,(H,22,25)
InChIKeyBIYIKNKKHZTGHA-UHFFFAOYSA-N
XLogP3.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9136541
methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 9136429
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8550669
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 78899137
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide (CID 9136923) is 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide is COc1ccc(Cl)cc1CN(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is BIYIKNKKHZTGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-23(2)20(26)14-5-8-17(9-6-14)22-19(25)13-24(3)12-15-11-16(21)7-10-18(15)27-4/h5-11H,12-13H2,1-4H3,(H,22,25).
What are the key properties of 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 389.88 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 9136923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).