N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide

C19H23NO3 — CID 27865842

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-3-7-19(21)20-13-16-10-11-17(18(12-16)22-2)23-14-15-8-5-4-6-9-15/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,20,21)
InChIKeyWAUMCSPMJFYBLU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.69
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide (PubChem CID 27865842) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
PubChem CID27865842
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H23NO3/c1-3-7-19(21)20-13-16-10-11-17(18(12-16)22-2)23-14-15-8-5-4-6-9-15/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,20,21)
InChIKeyWAUMCSPMJFYBLU-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987225
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290919
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27866075

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide (CID 27865842) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide is CCCC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide?
The InChIKey is WAUMCSPMJFYBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-7-19(21)20-13-16-10-11-17(18(12-16)22-2)23-14-15-8-5-4-6-9-15/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 27865842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).