(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide

C13H20N2O2 — CID 81364305

IUPAC(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-12(14)13(16)15-9(2)10-5-7-11(17-3)8-6-10/h5-9,12H,4,14H2,1-3H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyMNAXZZJGJGDDHO-BXKDBHETSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds5

About (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide

(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 81364305) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
PubChem CID81364305
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-12(14)13(16)15-9(2)10-5-7-11(17-3)8-6-10/h5-9,12H,4,14H2,1-3H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyMNAXZZJGJGDDHO-BXKDBHETSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide (CID 81364305) is (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide is CC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is MNAXZZJGJGDDHO-BXKDBHETSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-12(14)13(16)15-9(2)10-5-7-11(17-3)8-6-10/h5-9,12H,4,14H2,1-3H3,(H,15,16)/t9-,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide?
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 81364305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).