2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide

C20H21N3O4 — CID 108923308

IUPAC2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CNC(=O)CC#N)cc2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-26-17-8-5-15(11-18(17)27-2)12-20(25)23-16-6-3-14(4-7-16)13-22-19(24)9-10-21/h3-8,11H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCZQCUJHQOPBNRA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.41
Rot. Bonds8

About 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide

2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide (PubChem CID 108923308) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
PubChem CID108923308
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CNC(=O)CC#N)cc2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-26-17-8-5-15(11-18(17)27-2)12-20(25)23-16-6-3-14(4-7-16)13-22-19(24)9-10-21/h3-8,11H,9,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCZQCUJHQOPBNRA-UHFFFAOYSA-N
XLogP2.41
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 108923065
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
2-cyano-N-[(3-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 20985064
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7604330
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide (CID 108923308) is 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide is COc1ccc(CC(=O)Nc2ccc(CNC(=O)CC#N)cc2)cc1OC.
What is the InChIKey of 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
The InChIKey is CZQCUJHQOPBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-17-8-5-15(11-18(17)27-2)12-20(25)23-16-6-3-14(4-7-16)13-22-19(24)9-10-21/h3-8,11H,9,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 108923308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).