N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide

C25H32N4O6 — CID 58760324

IUPACN-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide
SMILESCOCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)c1nn(CC2CC2)c(=O)o1
InChIInChI=1S/C25H32N4O6/c1-34-14-13-20(21(30)24-28-29(25(33)35-24)15-16-11-12-16)27-23(32)18-9-5-6-10-19(18)26-22(31)17-7-3-2-4-8-17/h2-4,7-8,16,18-20H,5-6,9-15H2,1H3,(H,26,31)(H,27,32)/t18-,19+,20+/m1/s1
InChIKeyUHFAHPVYQJONRY-AABGKKOBSA-N
MW484.55 g/mol
LogP1.94
Rot. Bonds11

About N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide

N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide (PubChem CID 58760324) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide
PubChem CID58760324
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC NameN-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide
SMILESCOCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)c1nn(CC2CC2)c(=O)o1
InChIInChI=1S/C25H32N4O6/c1-34-14-13-20(21(30)24-28-29(25(33)35-24)15-16-11-12-16)27-23(32)18-9-5-6-10-19(18)26-22(31)17-7-3-2-4-8-17/h2-4,7-8,16,18-20H,5-6,9-15H2,1H3,(H,26,31)(H,27,32)/t18-,19+,20+/m1/s1
InChIKeyUHFAHPVYQJONRY-AABGKKOBSA-N
XLogP1.94
TPSA132.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide?
The IUPAC name of N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide (CID 58760324) is N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide?
The canonical SMILES for N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide is COCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1)C(=O)c1nn(CC2CC2)c(=O)o1.
What is the InChIKey of N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide?
The InChIKey is UHFAHPVYQJONRY-AABGKKOBSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-34-14-13-20(21(30)24-28-29(25(33)35-24)15-16-11-12-16)27-23(32)18-9-5-6-10-19(18)26-22(31)17-7-3-2-4-8-17/h2-4,7-8,16,18-20H,5-6,9-15H2,1H3,(H,26,31)(H,27,32)/t18-,19+,20+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide?
N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide has a molecular weight of 484.55 g/mol, XLogP of 1.94, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide is sourced from PubChem (CID 58760324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).