N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane

C22H26N4O3 — CID 142316945

IUPACN-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
SMILESCC.NC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C20H20N4O3.C2H6/c21-19(26)18(25)16(11-14-7-3-1-4-8-14)23-20(27)17-12-22-13-24(17)15-9-5-2-6-10-15;1-2/h1-10,12-13,16,18,25H,11H2,(H2,21,26)(H,23,27);1-2H3/t16-,18?;/m0./s1
InChIKeyMHQIZSMQTUFPPY-DMYPFFKMSA-N
MW394.48 g/mol
LogP2.09
Rot. Bonds7

About N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane

N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane (PubChem CID 142316945) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
PubChem CID142316945
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
SMILESCC.NC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C20H20N4O3.C2H6/c21-19(26)18(25)16(11-14-7-3-1-4-8-14)23-20(27)17-12-22-13-24(17)15-9-5-2-6-10-15;1-2/h1-10,12-13,16,18,25H,11H2,(H2,21,26)(H,23,27);1-2H3/t16-,18?;/m0./s1
InChIKeyMHQIZSMQTUFPPY-DMYPFFKMSA-N
XLogP2.09
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane?
The IUPAC name of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane (CID 142316945) is N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane.
What is the SMILES notation for N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane?
The canonical SMILES for N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane is CC.NC(=O)C(O)[C@H](Cc1ccccc1)NC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane?
The InChIKey is MHQIZSMQTUFPPY-DMYPFFKMSA-N. The full InChI is InChI=1S/C20H20N4O3.C2H6/c21-19(26)18(25)16(11-14-7-3-1-4-8-14)23-20(27)17-12-22-13-24(17)15-9-5-2-6-10-15;1-2/h1-10,12-13,16,18,25H,11H2,(H2,21,26)(H,23,27);1-2H3/t16-,18?;/m0./s1.
What are the key properties of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane?
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane has a molecular weight of 394.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane is sourced from PubChem (CID 142316945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).