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

C15H24N2O2 — CID 81370961

IUPAC2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C(N)CC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-14(16)15(18)17-11(3)12-5-7-13(19-4)8-6-12/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t11-,14?/m1/s1
InChIKeyLEBQOBXBHNDVFR-YNODCEANSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds6

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

2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide (PubChem CID 81370961) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
PubChem CID81370961
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C(N)CC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)9-14(16)15(18)17-11(3)12-5-7-13(19-4)8-6-12/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t11-,14?/m1/s1
InChIKeyLEBQOBXBHNDVFR-YNODCEANSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.25
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
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
(2S)-2-amino-N-[1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61179411
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide (CID 81370961) is 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide is COc1ccc([C@@H](C)NC(=O)C(N)CC(C)C)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide?
The InChIKey is LEBQOBXBHNDVFR-YNODCEANSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)9-14(16)15(18)17-11(3)12-5-7-13(19-4)8-6-12/h5-8,10-11,14H,9,16H2,1-4H3,(H,17,18)/t11-,14?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide?
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 81370961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).