(2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide

C25H32N4O4 — CID 101160617

IUPAC(2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide
SMILESCCCC1N[C@@H](Cc2ccc(O)cc2)C(=O)N1[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C25H32N4O4/c1-3-7-22-27-21(15-18-10-12-19(30)13-11-18)25(33)29(22)16(2)24(32)28-20(23(26)31)14-17-8-5-4-6-9-17/h4-6,8-13,16,20-22,27,30H,3,7,14-15H2,1-2H3,(H2,26,31)(H,28,32)/t16-,20-,21-,22?/m0/s1
InChIKeyBILKOKQNOLLKBU-KQHCZBAYSA-N
MW452.56 g/mol
LogP1.46
Rot. Bonds10

About (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide

(2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide (PubChem CID 101160617) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide
PubChem CID101160617
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name(2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide
SMILESCCCC1N[C@@H](Cc2ccc(O)cc2)C(=O)N1[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C25H32N4O4/c1-3-7-22-27-21(15-18-10-12-19(30)13-11-18)25(33)29(22)16(2)24(32)28-20(23(26)31)14-17-8-5-4-6-9-17/h4-6,8-13,16,20-22,27,30H,3,7,14-15H2,1-2H3,(H2,26,31)(H,28,32)/t16-,20-,21-,22?/m0/s1
InChIKeyBILKOKQNOLLKBU-KQHCZBAYSA-N
XLogP1.46
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide (CID 101160617) is (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide is CCCC1N[C@@H](Cc2ccc(O)cc2)C(=O)N1[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide?
The InChIKey is BILKOKQNOLLKBU-KQHCZBAYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-3-7-22-27-21(15-18-10-12-19(30)13-11-18)25(33)29(22)16(2)24(32)28-20(23(26)31)14-17-8-5-4-6-9-17/h4-6,8-13,16,20-22,27,30H,3,7,14-15H2,1-2H3,(H2,26,31)(H,28,32)/t16-,20-,21-,22?/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide?
(2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide has a molecular weight of 452.56 g/mol, XLogP of 1.46, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(4S)-4-[(4-hydroxyphenyl)methyl]-5-oxo-2-propylimidazolidin-1-yl]propanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 101160617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).