2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide

C22H27N3O2 — CID 87016444

IUPAC2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide
SMILESCCOc1ccccc1C(CC)NC(=O)CN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C22H27N3O2/c1-4-20(19-8-6-7-9-21(19)27-5-2)24-22(26)16-25(3)15-18-12-10-17(14-23)11-13-18/h6-13,20H,4-5,15-16H2,1-3H3,(H,24,26)
InChIKeyKFQCPCHSSVMDPX-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.66
Rot. Bonds9

About 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide

2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide (PubChem CID 87016444) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide
PubChem CID87016444
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide
SMILESCCOc1ccccc1C(CC)NC(=O)CN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C22H27N3O2/c1-4-20(19-8-6-7-9-21(19)27-5-2)24-22(26)16-25(3)15-18-12-10-17(14-23)11-13-18/h6-13,20H,4-5,15-16H2,1-3H3,(H,24,26)
InChIKeyKFQCPCHSSVMDPX-UHFFFAOYSA-N
XLogP3.66
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]propyl]phenoxy]-N,N-dimethylacetamide
CID 55900922
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55628464
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054649
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 86931145
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide (CID 87016444) is 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide is CCOc1ccccc1C(CC)NC(=O)CN(C)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide?
The InChIKey is KFQCPCHSSVMDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-20(19-8-6-7-9-21(19)27-5-2)24-22(26)16-25(3)15-18-12-10-17(14-23)11-13-18/h6-13,20H,4-5,15-16H2,1-3H3,(H,24,26).
What are the key properties of 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide?
2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 87016444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).