2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide

C14H18N4O2 — CID 168521728

IUPAC2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
SMILESCc1c(NC(=O)CC#N)cccc1NC(=O)CN(C)C
InChIInChI=1S/C14H18N4O2/c1-10-11(16-13(19)7-8-15)5-4-6-12(10)17-14(20)9-18(2)3/h4-6H,7,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyZYWMNSFSUGKXMU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.35
Rot. Bonds5

About 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide

2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide (PubChem CID 168521728) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
PubChem CID168521728
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
SMILESCc1c(NC(=O)CC#N)cccc1NC(=O)CN(C)C
InChIInChI=1S/C14H18N4O2/c1-10-11(16-13(19)7-8-15)5-4-6-12(10)17-14(20)9-18(2)3/h4-6H,7,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyZYWMNSFSUGKXMU-UHFFFAOYSA-N
XLogP1.35
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
2-(dimethylamino)-N-(3-isocyanato-2-methylphenyl)acetamide
CID 169353501
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
methyl N-cyano-N'-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]carbamimidothioate
CID 169362064
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
2-cyano-N-[3-methyl-2-(propan-2-ylamino)phenyl]acetamide
CID 168520610
4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
CID 168520811
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
N-[3-[[2-(dipropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54818982
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
2-(dimethylamino)-N-[2-methyl-3-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]acetamide
CID 72916440
N-[2-(2-chloroanilino)-2-oxoethyl]-4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 9409794

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide (CID 168521728) is 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide is Cc1c(NC(=O)CC#N)cccc1NC(=O)CN(C)C.
What is the InChIKey of 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide?
The InChIKey is ZYWMNSFSUGKXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-11(16-13(19)7-8-15)5-4-6-12(10)17-14(20)9-18(2)3/h4-6H,7,9H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide?
2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 168521728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).