N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide

C28H36N4O3 — CID 57100835

IUPACN-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide
SMILESCCCC(CCC)[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
InChIInChI=1S/C28H36N4O3/c1-3-10-20(11-4-2)21(27(29)34)17-26(33)24(16-19-12-6-5-7-13-19)32-28(35)25-18-30-22-14-8-9-15-23(22)31-25/h5-9,12-15,18,20-21,24,26,33H,3-4,10-11,16-17H2,1-2H3,(H2,29,34)(H,32,35)/t21-,24-,26-/m0/s1
InChIKeyQSYCSTTZAIIFQZ-CVJWPJSTSA-N
MW476.62 g/mol
LogP4.04
Rot. Bonds13

About N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide

N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide (PubChem CID 57100835) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide
PubChem CID57100835
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC NameN-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide
SMILESCCCC(CCC)[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O
InChIInChI=1S/C28H36N4O3/c1-3-10-20(11-4-2)21(27(29)34)17-26(33)24(16-19-12-6-5-7-13-19)32-28(35)25-18-30-22-14-8-9-15-23(22)31-25/h5-9,12-15,18,20-21,24,26,33H,3-4,10-11,16-17H2,1-2H3,(H2,29,34)(H,32,35)/t21-,24-,26-/m0/s1
InChIKeyQSYCSTTZAIIFQZ-CVJWPJSTSA-N
XLogP4.04
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S,5R)-6-amino-3-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57012011
N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57143878
N-[(2S,3S,5S)-3-hydroxy-6-(hydroxyamino)-5-(1-hydroxycycloheptyl)-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 56980513
N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-naphthalen-2-ylnonan-2-yl]quinoxaline-2-carboxamide
CID 56996151
N-[5-[(acetylhydrazinylidene)methyl]-8-fluoro-3-hydroxy-8-methyl-1-phenylnonan-2-yl]quinoxaline-2-carboxamide
CID 90937784
N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
CID 57217920
N-[(2S,3S,5R)-5-[(4,4-difluorocyclohexyl)methyl]-3-hydroxy-6-(methylamino)-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 54355559
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide
CID 159447883
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-[(2S,3S,5R)-8-fluoro-1-(3-fluorophenyl)-3-hydroxy-5-(1H-imidazol-2-yl)-8-methylnonan-2-yl]quinoxaline-2-carboxamide
CID 10164373
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide (CID 57100835) is N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide is CCCC(CCC)[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O.
What is the InChIKey of N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is QSYCSTTZAIIFQZ-CVJWPJSTSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-3-10-20(11-4-2)21(27(29)34)17-26(33)24(16-19-12-6-5-7-13-19)32-28(35)25-18-30-22-14-8-9-15-23(22)31-25/h5-9,12-15,18,20-21,24,26,33H,3-4,10-11,16-17H2,1-2H3,(H2,29,34)(H,32,35)/t21-,24-,26-/m0/s1.
What are the key properties of N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide?
N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 4.04, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 57100835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).