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(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide

C23H30N2O4 — CID 100529268

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C23H30N2O4/c1-5-13-24-23(27)18(3)25(15-19-9-11-20(28-4)12-10-19)22(26)16-29-21-8-6-7-17(2)14-21/h6-12,14,18H,5,13,15-16H2,1-4H3,(H,24,27)/t18-/m1/s1
InChIKeyARZABCDPCNYDLE-GOSISDBHSA-N
MW398.50 g/mol
LogP3.33
Rot. Bonds10

About (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide

(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 100529268) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID100529268
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C23H30N2O4/c1-5-13-24-23(27)18(3)25(15-19-9-11-20(28-4)12-10-19)22(26)16-29-21-8-6-7-17(2)14-21/h6-12,14,18H,5,13,15-16H2,1-4H3,(H,24,27)/t18-/m1/s1
InChIKeyARZABCDPCNYDLE-GOSISDBHSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide (CID 100529268) is (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is ARZABCDPCNYDLE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-13-24-23(27)18(3)25(15-19-9-11-20(28-4)12-10-19)22(26)16-29-21-8-6-7-17(2)14-21/h6-12,14,18H,5,13,15-16H2,1-4H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide?
(2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 398.50 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 100529268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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