4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide

C20H26N2O3 — CID 120559289

IUPAC4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
SMILESCOc1cc(CNC(=O)CCC(C)N)ccc1OCc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-15(21)8-11-20(23)22-13-17-9-10-18(19(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-7,9-10,12,15H,8,11,13-14,21H2,1-2H3,(H,22,23)
InChIKeyWVIDFCJNYJKBPN-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.02
Rot. Bonds9

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

4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide (PubChem CID 120559289) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
PubChem CID120559289
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
SMILESCOc1cc(CNC(=O)CCC(C)N)ccc1OCc1ccccc1
InChIInChI=1S/C20H26N2O3/c1-15(21)8-11-20(23)22-13-17-9-10-18(19(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-7,9-10,12,15H,8,11,13-14,21H2,1-2H3,(H,22,23)
InChIKeyWVIDFCJNYJKBPN-UHFFFAOYSA-N
XLogP3.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290919
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987225

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide (CID 120559289) is 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide is COc1cc(CNC(=O)CCC(C)N)ccc1OCc1ccccc1.
What is the InChIKey of 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
The InChIKey is WVIDFCJNYJKBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(21)8-11-20(23)22-13-17-9-10-18(19(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-7,9-10,12,15H,8,11,13-14,21H2,1-2H3,(H,22,23).
What are the key properties of 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide has a molecular weight of 342.44 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 120559289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).