(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide

C13H19NO4 — CID 11425295

IUPAC(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
SMILESCOc1ccc(CO[C@@H](C)C(=O)N(C)OC)cc1
InChIInChI=1S/C13H19NO4/c1-10(13(15)14(2)17-4)18-9-11-5-7-12(16-3)8-6-11/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyCTUWNLLZJFBXGJ-JTQLQIEISA-N
MW253.30 g/mol
LogP1.62
Rot. Bonds6

About (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide

(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide (PubChem CID 11425295) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
PubChem CID11425295
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
SMILESCOc1ccc(CO[C@@H](C)C(=O)N(C)OC)cc1
InChIInChI=1S/C13H19NO4/c1-10(13(15)14(2)17-4)18-9-11-5-7-12(16-3)8-6-11/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyCTUWNLLZJFBXGJ-JTQLQIEISA-N
XLogP1.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
(2S)-4-(benzenesulfonyl)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylbutanamide
CID 11486607
(2R,3S,4S)-3-hydroxy-N-methoxy-5-[(4-methoxyphenyl)methoxy]-N,2,4-trimethylpentanamide
CID 11141931
(Z,2S)-2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 121458348
2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 78069334
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 95291104
(2S)-N-methoxy-3-[4-[(4-methoxyphenyl)methoxy]cyclohexyl]-N,2-dimethylpropanamide
CID 122545576
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
(2S,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3,6-bis[(4-methoxyphenyl)methoxy]-N,2,4-trimethylhexanamide
CID 101199274
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide?
The IUPAC name of (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide (CID 11425295) is (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide?
The canonical SMILES for (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide is COc1ccc(CO[C@@H](C)C(=O)N(C)OC)cc1.
What is the InChIKey of (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide?
The InChIKey is CTUWNLLZJFBXGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(13(15)14(2)17-4)18-9-11-5-7-12(16-3)8-6-11/h5-8,10H,9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide?
(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide is sourced from PubChem (CID 11425295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).