(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide

C14H22N2O2 — CID 94817225

IUPAC(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
SMILESCOc1c(C)cc(CN(C)[C@H](C)C(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-6-12(7-10(2)13(9)18-5)8-16(4)11(3)14(15)17/h6-7,11H,8H2,1-5H3,(H2,15,17)/t11-/m1/s1
InChIKeyFMJPTCLMQRPNIS-LLVKDONJSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds5

About (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide

(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide (PubChem CID 94817225) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
PubChem CID94817225
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
SMILESCOc1c(C)cc(CN(C)[C@H](C)C(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-6-12(7-10(2)13(9)18-5)8-16(4)11(3)14(15)17/h6-7,11H,8H2,1-5H3,(H2,15,17)/t11-/m1/s1
InChIKeyFMJPTCLMQRPNIS-LLVKDONJSA-N
XLogP1.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 94817203
(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
CID 94190668
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide
CID 119766907
2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 95288572
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
1-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189907
2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668150
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
CID 115192259

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide (CID 94817225) is (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide is COc1c(C)cc(CN(C)[C@H](C)C(N)=O)cc1C.
What is the InChIKey of (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide?
The InChIKey is FMJPTCLMQRPNIS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-12(7-10(2)13(9)18-5)8-16(4)11(3)14(15)17/h6-7,11H,8H2,1-5H3,(H2,15,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide?
(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 94817225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).