3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide

C13H20N2O — CID 81356180

IUPAC3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)C(C)CN)cc1
InChIInChI=1S/C13H20N2O/c1-9-4-6-12(7-5-9)11(3)15-13(16)10(2)8-14/h4-7,10-11H,8,14H2,1-3H3,(H,15,16)/t10?,11-/m1/s1
InChIKeyQNXBPETYWLQYQW-RRKGBCIJSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide

3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide (PubChem CID 81356180) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
PubChem CID81356180
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)C(C)CN)cc1
InChIInChI=1S/C13H20N2O/c1-9-4-6-12(7-5-9)11(3)15-13(16)10(2)8-14/h4-7,10-11H,8,14H2,1-3H3,(H,15,16)/t10?,11-/m1/s1
InChIKeyQNXBPETYWLQYQW-RRKGBCIJSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 106111839
3-amino-2-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 106113248
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 141298462

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide (CID 81356180) is 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)C(C)CN)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is QNXBPETYWLQYQW-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-6-12(7-5-9)11(3)15-13(16)10(2)8-14/h4-7,10-11H,8,14H2,1-3H3,(H,15,16)/t10?,11-/m1/s1.
What are the key properties of 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide?
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 81356180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).