N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide

C24H30N4O2 — CID 71716999

IUPACN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H30N4O2/c1-24(2,19-12-8-5-9-13-19)26-15-22(29)20(14-18-10-6-4-7-11-18)27-23(30)21-16-28(3)17-25-21/h4-13,16-17,20,22,26,29H,14-15H2,1-3H3,(H,27,30)/t20-,22+/m0/s1
InChIKeyCMULEYGZXCSGTH-RBBKRZOGSA-N
MW406.53 g/mol
LogP2.65
Rot. Bonds9

About N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide

N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide (PubChem CID 71716999) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide
PubChem CID71716999
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H30N4O2/c1-24(2,19-12-8-5-9-13-19)26-15-22(29)20(14-18-10-6-4-7-11-18)27-23(30)21-16-28(3)17-25-21/h4-13,16-17,20,22,26,29H,14-15H2,1-3H3,(H,27,30)/t20-,22+/m0/s1
InChIKeyCMULEYGZXCSGTH-RBBKRZOGSA-N
XLogP2.65
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide (CID 71716999) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2ccccc2)c1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide?
The InChIKey is CMULEYGZXCSGTH-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-24(2,19-12-8-5-9-13-19)26-15-22(29)20(14-18-10-6-4-7-11-18)27-23(30)21-16-28(3)17-25-21/h4-13,16-17,20,22,26,29H,14-15H2,1-3H3,(H,27,30)/t20-,22+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide?
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 71716999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).