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

C14H22N2O2 — CID 81380450

IUPAC2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
SMILESCOCCC(N)C(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-10-6-4-5-7-12(10)11(2)16-14(17)13(15)8-9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyIYNVLWIUQSEXJZ-JTDNENJMSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds6

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

2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide (PubChem CID 81380450) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
PubChem CID81380450
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
SMILESCOCCC(N)C(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-10-6-4-5-7-12(10)11(2)16-14(17)13(15)8-9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)/t11-,13?/m1/s1
InChIKeyIYNVLWIUQSEXJZ-JTDNENJMSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
(2R)-2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104908821
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
ethyl 2-amino-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]-3-oxopropanoate
CID 104877641
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 62475602
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide (CID 81380450) is 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide is COCCC(N)C(=O)N[C@H](C)c1ccccc1C.
What is the InChIKey of 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide?
The InChIKey is IYNVLWIUQSEXJZ-JTDNENJMSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-4-5-7-12(10)11(2)16-14(17)13(15)8-9-18-3/h4-7,11,13H,8-9,15H2,1-3H3,(H,16,17)/t11-,13?/m1/s1.
What are the key properties of 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide?
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 81380450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).