3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide

C16H26N2O — CID 115153731

IUPAC3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(C)c(CN(C)C(=O)C(C)CN)c1C
InChIInChI=1S/C16H26N2O/c1-10-7-11(2)14(5)15(13(10)4)9-18(6)16(19)12(3)8-17/h7,12H,8-9,17H2,1-6H3
InChIKeyQUECKZXJJBSNIO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.47
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide

3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide (PubChem CID 115153731) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
PubChem CID115153731
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(C)c(CN(C)C(=O)C(C)CN)c1C
InChIInChI=1S/C16H26N2O/c1-10-7-11(2)14(5)15(13(10)4)9-18(6)16(19)12(3)8-17/h7,12H,8-9,17H2,1-6H3
InChIKeyQUECKZXJJBSNIO-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115153767
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153649
2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
CID 115219486
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115173165

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide (CID 115153731) is 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide is Cc1cc(C)c(C)c(CN(C)C(=O)C(C)CN)c1C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The InChIKey is QUECKZXJJBSNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-7-11(2)14(5)15(13(10)4)9-18(6)16(19)12(3)8-17/h7,12H,8-9,17H2,1-6H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide is sourced from PubChem (CID 115153731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).