3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide

C16H25NO3 — CID 94799911

IUPAC3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide
SMILESCOCCOCCC(=O)N[C@H](C)Cc1ccccc1C
InChIInChI=1S/C16H25NO3/c1-13-6-4-5-7-15(13)12-14(2)17-16(18)8-9-20-11-10-19-3/h4-7,14H,8-12H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyVJKBBWAZFYQTKP-CQSZACIVSA-N
MW279.38 g/mol
LogP2.10
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide

3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide (PubChem CID 94799911) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide
PubChem CID94799911
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide
SMILESCOCCOCCC(=O)N[C@H](C)Cc1ccccc1C
InChIInChI=1S/C16H25NO3/c1-13-6-4-5-7-15(13)12-14(2)17-16(18)8-9-20-11-10-19-3/h4-7,14H,8-12H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyVJKBBWAZFYQTKP-CQSZACIVSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728
2-ethoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 61063462
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
CID 86828580
2-(cyclopropylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 54862344
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94618604
2-bromo-3-methyl-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 54867370
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide (CID 94799911) is 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide is COCCOCCC(=O)N[C@H](C)Cc1ccccc1C.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide?
The InChIKey is VJKBBWAZFYQTKP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-6-4-5-7-15(13)12-14(2)17-16(18)8-9-20-11-10-19-3/h4-7,14H,8-12H2,1-3H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide?
3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 94799911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).