N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide

C15H24N2O4 — CID 8890668

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide
SMILESCOC[C@H](C)NCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-11(10-19-2)16-9-15(18)17-8-12-5-6-13(20-3)14(7-12)21-4/h5-7,11,16H,8-10H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyLPURZJWYAJAVFN-NSHDSACASA-N
MW296.37 g/mol
LogP0.94
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide (PubChem CID 8890668) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide
PubChem CID8890668
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide
SMILESCOC[C@H](C)NCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-11(10-19-2)16-9-15(18)17-8-12-5-6-13(20-3)14(7-12)21-4/h5-7,11,16H,8-10H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyLPURZJWYAJAVFN-NSHDSACASA-N
XLogP0.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium
CID 8894865
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
2-[(3,4-dimethoxyphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62639198
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide (CID 8890668) is N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide is COC[C@H](C)NCC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide?
The InChIKey is LPURZJWYAJAVFN-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(10-19-2)16-9-15(18)17-8-12-5-6-13(20-3)14(7-12)21-4/h5-7,11,16H,8-10H2,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide is sourced from PubChem (CID 8890668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).