N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide

C24H35ClN4O4 — CID 67080831

IUPACN-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESCOC[C@@H](CCN1CCC2(CC2)[C@H](O)C1)N1CCN(C(=O)Nc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C24H35ClN4O4/c1-33-17-20(5-10-27-12-9-24(7-8-24)21(30)16-27)29-14-13-28(11-6-22(29)31)23(32)26-19-4-2-3-18(25)15-19/h2-4,15,20-21,30H,5-14,16-17H2,1H3,(H,26,32)/t20-,21-/m1/s1
InChIKeyYUAUMEVLGDPLHN-NHCUHLMSSA-N
MW479.02 g/mol
LogP2.66
Rot. Bonds7

About N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide

N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 67080831) has the molecular formula C24H35ClN4O4 and a molecular weight of 479.02 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID67080831
Molecular FormulaC24H35ClN4O4
Molecular Weight479.02 g/mol
Exact Mass478.23
IUPAC NameN-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESCOC[C@@H](CCN1CCC2(CC2)[C@H](O)C1)N1CCN(C(=O)Nc2cccc(Cl)c2)CCC1=O
InChIInChI=1S/C24H35ClN4O4/c1-33-17-20(5-10-27-12-9-24(7-8-24)21(30)16-27)29-14-13-28(11-6-22(29)31)23(32)26-19-4-2-3-18(25)15-19/h2-4,15,20-21,30H,5-14,16-17H2,1H3,(H,26,32)/t20-,21-/m1/s1
InChIKeyYUAUMEVLGDPLHN-NHCUHLMSSA-N
XLogP2.66
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.02
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 72529282
lithium;2-[4-[(3-chlorophenyl)carbamoyl]-7-oxo-1,4-diazepan-1-yl]-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butanoic acid;hydride
CID 173044851
(2S)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 59149844
N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 75082212
(2R)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 59149894
1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxy-4-oxobutan-2-yl]-1,4-diazepan-5-one
CID 58232160
1-(3-chlorophenyl)-4-[1-hydroxy-4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)butan-2-yl]-1,4-diazepan-5-one
CID 75089816
(2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid
CID 67481814
(2S)-N-(3-chlorophenyl)-4-[4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 44612250
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
(2S)-N-(3-chlorophenyl)-4-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 59149931
4-[4-(6-azaspiro[2.5]octan-6-yl)-1-hydroxybutan-2-yl]-N-(3-chlorophenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 143925495

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide (CID 67080831) is N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide is COC[C@@H](CCN1CCC2(CC2)[C@H](O)C1)N1CCN(C(=O)Nc2cccc(Cl)c2)CCC1=O.
What is the InChIKey of N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is YUAUMEVLGDPLHN-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H35ClN4O4/c1-33-17-20(5-10-27-12-9-24(7-8-24)21(30)16-27)29-14-13-28(11-6-22(29)31)23(32)26-19-4-2-3-18(25)15-19/h2-4,15,20-21,30H,5-14,16-17H2,1H3,(H,26,32)/t20-,21-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide?
N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 479.02 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 67080831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).