N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

C22H29ClN2O5 — CID 18229693

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC
InChIInChI=1S/C22H29ClN2O5/c1-6-25(13-15-8-9-18(30-7-2)21(10-15)29-5)14-22(26)24-17-11-16(23)19(27-3)12-20(17)28-4/h8-12H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyPSPHKZUZOAAURQ-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.23
Rot. Bonds11

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (PubChem CID 18229693) has the molecular formula C22H29ClN2O5 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
PubChem CID18229693
Molecular FormulaC22H29ClN2O5
Molecular Weight436.94 g/mol
Exact Mass436.18
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC
InChIInChI=1S/C22H29ClN2O5/c1-6-25(13-15-8-9-18(30-7-2)21(10-15)29-5)14-22(26)24-17-11-16(23)19(27-3)12-20(17)28-4/h8-12H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyPSPHKZUZOAAURQ-UHFFFAOYSA-N
XLogP4.23
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151896
N-(2,6-dichloro-3-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620409
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18151902
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620426
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16962761
ethyl 4-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]benzoate
CID 16608706
N-(1,3-benzodioxol-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620402
N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18144581
2-[benzyl(ethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 18084887

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (CID 18229693) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is CCOc1ccc(CN(CC)CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is PSPHKZUZOAAURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O5/c1-6-25(13-15-8-9-18(30-7-2)21(10-15)29-5)14-22(26)24-17-11-16(23)19(27-3)12-20(17)28-4/h8-12H,6-7,13-14H2,1-5H3,(H,24,26).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 436.94 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 18229693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).