3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide

C14H22N2O2 — CID 116850294

IUPAC3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
SMILESCOc1cc(C)c(C(N)CC(=O)N(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-7-13(18-5)10(2)6-11(9)12(15)8-14(17)16(3)4/h6-7,12H,8,15H2,1-5H3
InChIKeyFAEKOXKHVXSDQU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.79
Rot. Bonds4

About 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide

3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide (PubChem CID 116850294) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
PubChem CID116850294
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
SMILESCOc1cc(C)c(C(N)CC(=O)N(C)C)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-7-13(18-5)10(2)6-11(9)12(15)8-14(17)16(3)4/h6-7,12H,8,15H2,1-5H3
InChIKeyFAEKOXKHVXSDQU-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
CID 116849248
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938400
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide (CID 116850294) is 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide is COc1cc(C)c(C(N)CC(=O)N(C)C)cc1C.
What is the InChIKey of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide?
The InChIKey is FAEKOXKHVXSDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-13(18-5)10(2)6-11(9)12(15)8-14(17)16(3)4/h6-7,12H,8,15H2,1-5H3.
What are the key properties of 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide?
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 116850294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).