2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide

C16H25N3O2 — CID 81312909

IUPAC2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12-18(3)15(20)10-13-8-6-7-9-14(13)11-17/h6-9H,4-5,10-12,17H2,1-3H3
InChIKeyNXYBYLGTLCADBA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.01
Rot. Bonds7

About 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide

2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 81312909) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID81312909
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12-18(3)15(20)10-13-8-6-7-9-14(13)11-17/h6-9H,4-5,10-12,17H2,1-3H3
InChIKeyNXYBYLGTLCADBA-UHFFFAOYSA-N
XLogP1.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
2-[2-(aminomethyl)phenyl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 81321874
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740
2-[2-(aminomethyl)phenyl]-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107398398
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide (CID 81312909) is 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide is CCN(CC)C(=O)CN(C)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is NXYBYLGTLCADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)16(21)12-18(3)15(20)10-13-8-6-7-9-14(13)11-17/h6-9H,4-5,10-12,17H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 81312909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).