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

C20H26N2O3 — CID 119271942

IUPAC2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-3-7-17(21)20(23)22-13-16-10-11-18(19(12-16)24-2)25-14-15-8-5-4-6-9-15/h4-6,8-12,17H,3,7,13-14,21H2,1-2H3,(H,22,23)
InChIKeyKRHJWVKDMGFDEV-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.02
Rot. Bonds9

About 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide

2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide (PubChem CID 119271942) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
PubChem CID119271942
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-3-7-17(21)20(23)22-13-16-10-11-18(19(12-16)24-2)25-14-15-8-5-4-6-9-15/h4-6,8-12,17H,3,7,13-14,21H2,1-2H3,(H,22,23)
InChIKeyKRHJWVKDMGFDEV-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

2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
CID 119302579
2-amino-N-benzylpentanamide
CID 11020044
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
CID 62473722
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
CID 119714660
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide (CID 119271942) is 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide is CCCC(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
The InChIKey is KRHJWVKDMGFDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-7-17(21)20(23)22-13-16-10-11-18(19(12-16)24-2)25-14-15-8-5-4-6-9-15/h4-6,8-12,17H,3,7,13-14,21H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide?
2-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 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 119271942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).