N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide

C21H27BrN2O3 — CID 46516037

IUPACN-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)c1ccc(Br)cc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27BrN2O3/c1-5-24(13-16-6-11-19(26-3)20(12-16)27-4)14-21(25)23-15(2)17-7-9-18(22)10-8-17/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)
InChIKeySEKXZZJHYFASQC-UHFFFAOYSA-N
MW435.36 g/mol
LogP4.17
Rot. Bonds9

About N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide (PubChem CID 46516037) has the molecular formula C21H27BrN2O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
PubChem CID46516037
Molecular FormulaC21H27BrN2O3
Molecular Weight435.36 g/mol
Exact Mass434.12
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)c1ccc(Br)cc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27BrN2O3/c1-5-24(13-16-6-11-19(26-3)20(12-16)27-4)14-21(25)23-15(2)17-7-9-18(22)10-8-17/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)
InChIKeySEKXZZJHYFASQC-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 55381742
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
N-(2-bromo-4,6-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 78833894
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 106785344
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872175
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide (CID 46516037) is N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide is CCN(CC(=O)NC(C)c1ccc(Br)cc1)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is SEKXZZJHYFASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3/c1-5-24(13-16-6-11-19(26-3)20(12-16)27-4)14-21(25)23-15(2)17-7-9-18(22)10-8-17/h6-12,15H,5,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 435.36 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 46516037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).