4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide

C19H23NO3 — CID 68669823

IUPAC4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
SMILESCOc1cc(CCC(C)C(N)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(19(20)21)8-9-15-10-11-17(18(12-15)22-2)23-13-16-6-4-3-5-7-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H2,20,21)
InChIKeyRBLZGCIAUBKNMK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.33
Rot. Bonds8

About 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide

4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide (PubChem CID 68669823) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
PubChem CID68669823
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
SMILESCOc1cc(CCC(C)C(N)=O)ccc1OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(19(20)21)8-9-15-10-11-17(18(12-15)22-2)23-13-16-6-4-3-5-7-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H2,20,21)
InChIKeyRBLZGCIAUBKNMK-UHFFFAOYSA-N
XLogP3.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694030
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide?
The IUPAC name of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide (CID 68669823) is 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide?
The canonical SMILES for 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide is COc1cc(CCC(C)C(N)=O)ccc1OCc1ccccc1.
What is the InChIKey of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide?
The InChIKey is RBLZGCIAUBKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(19(20)21)8-9-15-10-11-17(18(12-15)22-2)23-13-16-6-4-3-5-7-16/h3-7,10-12,14H,8-9,13H2,1-2H3,(H2,20,21).
What are the key properties of 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide?
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 68669823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).