3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide

C23H30N2O4 — CID 40592074

IUPAC3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](C)NC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-17(25-23(27)15-9-19-6-12-21(29-3)13-7-19)16-24-22(26)14-8-18-4-10-20(28-2)11-5-18/h4-7,10-13,17H,8-9,14-16H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyLOBDPOWDLXHJPS-KRWDZBQOSA-N
MW398.50 g/mol
LogP2.89
Rot. Bonds11

About 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide

3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide (PubChem CID 40592074) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
PubChem CID40592074
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](C)NC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-17(25-23(27)15-9-19-6-12-21(29-3)13-7-19)16-24-22(26)14-8-18-4-10-20(28-2)11-5-18/h4-7,10-13,17H,8-9,14-16H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyLOBDPOWDLXHJPS-KRWDZBQOSA-N
XLogP2.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide (CID 40592074) is 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide is COc1ccc(CCC(=O)NC[C@H](C)NC(=O)CCc2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide?
The InChIKey is LOBDPOWDLXHJPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-17(25-23(27)15-9-19-6-12-21(29-3)13-7-19)16-24-22(26)14-8-18-4-10-20(28-2)11-5-18/h4-7,10-13,17H,8-9,14-16H2,1-3H3,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide?
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide has a molecular weight of 398.50 g/mol, XLogP of 2.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide is sourced from PubChem (CID 40592074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).