(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide

C17H20N2O3 — CID 67235119

IUPAC(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
SMILESCOc1cc(Oc2ccc(NC(=O)[C@@H](C)N)cc2)ccc1C
InChIInChI=1S/C17H20N2O3/c1-11-4-7-15(10-16(11)21-3)22-14-8-5-13(6-9-14)19-17(20)12(2)18/h4-10,12H,18H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyVWSWSUCPMFPABA-GFCCVEGCSA-N
MW300.36 g/mol
LogP3.08
Rot. Bonds5

About (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide

(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide (PubChem CID 67235119) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
PubChem CID67235119
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
SMILESCOc1cc(Oc2ccc(NC(=O)[C@@H](C)N)cc2)ccc1C
InChIInChI=1S/C17H20N2O3/c1-11-4-7-15(10-16(11)21-3)22-14-8-5-13(6-9-14)19-17(20)12(2)18/h4-10,12H,18H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyVWSWSUCPMFPABA-GFCCVEGCSA-N
XLogP3.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-methoxyphenoxy)phenyl]propanamide;hydrochloride
CID 154915022
(2R)-2-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methylbutanamide
CID 70976319
2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
CID 77479086
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
CID 118588187
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
CID 146264472
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide (CID 67235119) is (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide is COc1cc(Oc2ccc(NC(=O)[C@@H](C)N)cc2)ccc1C.
What is the InChIKey of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide?
The InChIKey is VWSWSUCPMFPABA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-4-7-15(10-16(11)21-3)22-14-8-5-13(6-9-14)19-17(20)12(2)18/h4-10,12H,18H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide?
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 67235119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).