2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide

C21H26N2O4 — CID 132655552

IUPAC2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C21H26N2O4/c1-15-7-5-10-19(11-15)27-14-20(24)23(16(2)21(25)22-3)13-17-8-6-9-18(12-17)26-4/h5-12,16H,13-14H2,1-4H3,(H,22,25)
InChIKeyQFVUBIOHWDLTAS-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.55
Rot. Bonds8

About 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide

2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 132655552) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide
PubChem CID132655552
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C21H26N2O4/c1-15-7-5-10-19(11-15)27-14-20(24)23(16(2)21(25)22-3)13-17-8-6-9-18(12-17)26-4/h5-12,16H,13-14H2,1-4H3,(H,22,25)
InChIKeyQFVUBIOHWDLTAS-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132655551
(2S)-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100714038
2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132664110
2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132655182
(2S)-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 100502264
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100605415
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647121
(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100529268
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]butanamide
CID 132660873
2-[[2-(2-tert-butylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132664101
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100540343
2-[[2-(3,5-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132614071

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide (CID 132655552) is 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is QFVUBIOHWDLTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-7-5-10-19(11-15)27-14-20(24)23(16(2)21(25)22-3)13-17-8-6-9-18(12-17)26-4/h5-12,16H,13-14H2,1-4H3,(H,22,25).
What are the key properties of 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide?
2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 370.45 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132655552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).