2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide

C12H17N3O2 — CID 81317526

IUPAC2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)Cc1ccccc1CN
InChIInChI=1S/C12H17N3O2/c1-14-12(17)8-15-11(16)6-9-4-2-3-5-10(9)7-13/h2-5H,6-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyYYWVXDVLIOHEHD-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.45
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide (PubChem CID 81317526) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
PubChem CID81317526
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
SMILESCNC(=O)CNC(=O)Cc1ccccc1CN
InChIInChI=1S/C12H17N3O2/c1-14-12(17)8-15-11(16)6-9-4-2-3-5-10(9)7-13/h2-5H,6-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyYYWVXDVLIOHEHD-UHFFFAOYSA-N
XLogP-0.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
CID 106186730
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]propanamide
CID 81318090
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
[2-(aminomethyl)phenyl]methylurea
CID 62949906
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide (CID 81317526) is 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide is CNC(=O)CNC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
The InChIKey is YYWVXDVLIOHEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-12(17)8-15-11(16)6-9-4-2-3-5-10(9)7-13/h2-5H,6-8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide has a molecular weight of 235.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 81317526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).